data_2le0_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2le0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 53.7 mttm . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 120.371 0.129 . . . . 1.0 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 53.8 Cg_endo -67.86 -52.1 0.57 Allowed 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.298 1.999 . . . . 1.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 3.4 mm? -95.0 -3.98 47.44 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.848 0.314 . . . . 1.0 111.848 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -66.97 -17.53 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -100.54 7.98 43.75 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.086 -0.246 . . . . 1.0 111.419 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 19.4 ptm -150.22 153.13 35.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.336 -0.546 . . . . 1.0 112.092 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -89.23 156.27 18.87 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.495 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mm -132.23 150.03 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.857 0.837 . . . . 1.0 112.936 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 tt -139.3 139.0 37.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.156 -1.384 . . . . 1.0 108.636 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -126.63 127.97 46.04 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.235 0.541 . . . . 1.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.3 125.09 49.36 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.338 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.12 178.59 51.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -75.71 138.8 41.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.153 0.502 . . . . 1.0 111.338 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.586 ' CD2' ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -123.48 172.38 8.77 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.417 -0.81 . . . . 1.0 110.221 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m -58.74 -42.56 89.1 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.328 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.36 136.51 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.942 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.531 HD21 ' CD ' ' A' ' 21' ' ' GLU . 33.8 m-80 -74.85 -178.47 3.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.371 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -60.56 -51.92 67.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.83 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.61 -10.24 59.76 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.351 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.531 ' CD ' HD21 ' A' ' 18' ' ' ASN . 96.2 mt-10 -100.46 -24.78 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.878 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.68 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 1.0 110.771 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.0 -44.67 96.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.605 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.5 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 1.0 112.02 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -68.88 -39.49 79.78 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.871 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.13 -44.05 99.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.573 -0.451 . . . . 1.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -71.27 -30.28 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.81 -43.86 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.407 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.77 -42.11 99.54 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 122.198 0.999 . . . . 1.0 109.404 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.11 -5.84 3.97 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 107.761 -2.136 . . . . 1.0 107.761 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.56 153.4 28.58 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -130.99 152.05 50.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.338 . . . . 1.0 110.643 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -102.18 113.79 27.36 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.103 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -88.02 163.77 16.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.281 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.68 -17.39 9.83 Favored Glycine 0 N--CA 1.468 0.769 0 N-CA-C 111.323 -0.711 . . . . 1.0 111.323 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -84.2 -137.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.74 -69.91 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.664 0.269 . . . . 1.0 111.168 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 16.2 t-20 -63.62 -27.98 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.687 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.17 -35.0 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.309 -0.556 . . . . 1.0 109.664 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.64 158.19 30.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.037 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -95.27 -71.97 0.65 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -115.5 121.26 42.16 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.1 t -81.5 140.21 34.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.161 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -95.23 112.72 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.303 0.573 . . . . 1.0 110.015 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.404 ' OG ' ' OE1' ' A' ' 49' ' ' GLU . 29.6 t -157.96 152.21 24.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.888 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.8 p -95.25 163.78 13.13 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.85 81.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.473 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.07 -39.54 75.14 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.001 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' OE1' ' OG ' ' A' ' 45' ' ' SER . 96.6 mt-10 -66.2 -39.87 89.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.99 -43.9 96.09 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.505 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -51.72 -37.1 49.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.872 0.368 . . . . 1.0 111.711 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -63.39 -38.87 92.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.144 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.4 mmt 58.33 57.87 3.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.81 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -76.78 176.03 8.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.62 -40.57 95.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.962 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' H ' ' HD3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.46 -38.99 91.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.217 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.41 -39.98 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.86 -35.52 76.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.08 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -64.36 -44.6 90.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.125 0.488 . . . . 1.0 109.75 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.421 -0.809 . . . . 1.0 109.497 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.88 -46.06 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.423 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.98 -11.35 60.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.854 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -90.01 -6.63 55.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.733 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 1.9 t-20 60.63 54.7 3.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.541 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.582 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 48.4 t -124.17 125.88 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.804 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -69.33 147.62 50.85 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.635 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.41 ' H ' ' HB2' ' A' ' 93' ' ' SER . 54.2 t -112.72 131.38 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.387 -0.824 . . . . 1.0 109.619 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.97 160.79 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.878 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.74 151.91 33.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.853 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 70' ' ' GLU . 3.3 pm0 -63.91 -31.12 72.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.742 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.15 -10.13 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.295 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.431 ' H ' ' C ' ' A' ' 70' ' ' GLU . 32.9 t80 -59.68 -42.62 93.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.824 -0.806 . . . . 1.0 108.824 177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.81 -41.87 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 1.0 109.133 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.28 -38.17 87.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.086 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.82 -48.7 80.63 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.647 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.35 -37.57 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.078 -0.649 . . . . 1.0 109.569 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 t -60.66 -43.74 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.301 -0.863 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.24 -64.32 1.15 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.061 0.458 . . . . 1.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 t -81.73 166.82 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.05 42.81 1.94 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -71.84 -167.55 0.29 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.513 0.673 . . . . 1.0 111.023 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 m -71.78 143.68 49.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.787 -1.097 . . . . 1.0 110.632 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -63.29 -43.67 97.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.61 -0.723 . . . . 1.0 109.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -65.26 -39.45 92.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.087 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.233 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.91 -42.79 99.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.823 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 3.7 pp -81.96 -8.05 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.661 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 t -70.03 -34.51 73.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 1.0 110.8 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.88 -41.01 4.61 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.992 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -65.86 -36.3 83.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 1.0 111.727 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.467 ' HG ' ' H ' ' A' ' 93' ' ' SER . 30.0 t -53.35 125.7 18.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 122.438 1.113 . . . . 1.0 111.321 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.13 -5.19 41.28 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 112.979 -1.919 . . . . 1.0 109.573 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.467 ' H ' ' HG ' ' A' ' 91' ' ' SER . 47.8 m -134.26 150.93 51.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.3 p -102.75 0.42 32.87 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.843 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.582 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 9.2 p90 -103.25 165.6 10.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.549 0.214 . . . . 1.0 110.694 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.65 67.93 0.08 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.444 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.441 . . . . 1.0 110.427 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 64.4 mttm . . . . . 0 CA--C 1.528 0.111 0 N-CA-C 110.424 -0.214 . . . . 1.0 110.424 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 57.3 Cg_endo -68.63 -38.05 11.42 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 121.849 1.699 . . . . 1.0 112.848 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.9 mt -109.96 -9.61 14.76 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -63.83 -19.78 65.3 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.701 0.63 . . . . 1.0 112.701 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.37 12.74 36.49 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.721 0.296 . . . . 1.0 111.395 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 ptm -151.99 156.37 39.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 1.0 111.704 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.36 150.1 22.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.3 mt -118.6 141.3 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.124 0.488 . . . . 1.0 111.71 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -116.29 133.33 56.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.153 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 p -104.72 118.24 36.08 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.91 -42.08 99.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.034 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.68 -91.67 0.09 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -66.99 133.32 49.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.086 0.469 . . . . 1.0 111.255 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.5 tp -119.75 133.76 55.49 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.671 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 t -61.69 -79.84 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.65 0.611 . . . . 1.0 112.65 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 8.6 pt20 -58.54 179.62 0.08 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.085 0.469 . . . . 1.0 112.003 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.47 151.59 44.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.443 -0.799 . . . . 1.0 111.687 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -62.11 -48.08 81.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.955 -1.02 . . . . 1.0 110.87 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.51 -40.85 98.08 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.04 -0.664 . . . . 1.0 110.766 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -69.12 -38.58 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 1.0 111.106 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 -56.79 10.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.18 -41.46 99.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.385 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.73 79.72 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.644 -0.422 . . . . 1.0 111.387 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 25' ' ' MET . 2.2 ppp? -68.73 -40.28 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.312 -0.555 . . . . 1.0 112.038 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.2 -44.24 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.928 0.344 . . . . 1.0 111.928 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.77 -28.51 65.82 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.826 -0.349 . . . . 1.0 111.295 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.52 -44.85 95.36 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.937 0.399 . . . . 1.0 111.056 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.02 -38.42 91.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.209 1.004 . . . . 1.0 108.893 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.15 -1.61 9.04 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 107.211 -2.356 . . . . 1.0 107.211 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.2 152.59 43.72 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -134.37 154.28 51.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.593 0.711 . . . . 1.0 111.674 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.517 ' O ' ' OG1' ' A' ' 34' ' ' THR . 15.9 mt -120.17 113.33 20.29 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.938 -1.028 . . . . 1.0 110.518 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 m -174.75 154.12 1.89 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.878 0.37 . . . . 1.0 110.878 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.34 15.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.021 -0.536 . . . . 1.0 112.451 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m -82.3 -42.82 18.3 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.424 -0.388 . . . . 1.0 111.526 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -169.78 152.49 4.55 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.295 0.569 . . . . 1.0 111.136 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 9.6 t-20 56.69 -2.21 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.036 -0.984 . . . . 1.0 112.486 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.523 ' H ' ' C ' ' A' ' 37' ' ' ALA . 97.9 mttt -88.95 -12.08 42.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.311 0.577 . . . . 1.0 109.788 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.15 177.35 4.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.03 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 t -109.34 -54.83 2.49 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mp -116.36 120.43 38.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.692 -0.685 . . . . 1.0 109.644 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.43 138.92 31.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -90.49 111.42 23.44 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-O 121.484 0.659 . . . . 1.0 110.524 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 t -165.94 131.18 2.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.639 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 p -82.97 167.99 17.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.89 -38.89 79.89 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.455 -0.498 . . . . 1.0 109.661 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.72 -43.1 85.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 78.9 mm-40 -65.53 -37.95 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.49 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.0 -43.17 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.421 0.629 . . . . 1.0 110.282 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -55.66 -17.61 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.54 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 73.4 mmtt -62.88 -42.53 99.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.495 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.5 mmt 53.18 45.01 29.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.453 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 t -86.38 178.4 7.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.29 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.457 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -60.48 -41.15 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.029 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -63.59 -39.3 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.541 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -58.59 -32.02 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.1 -43.34 87.54 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.312 -0.555 . . . . 1.0 109.82 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.45 -45.06 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 122.066 0.936 . . . . 1.0 108.476 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.7 -46.88 87.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 113.897 -1.501 . . . . 1.0 111.934 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.35 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 1.0 110.007 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.484 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -87.74 -6.59 58.11 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.0 109.828 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 m120 56.55 53.88 8.06 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.341 -0.845 . . . . 1.0 111.318 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 65.6 t -124.64 125.46 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.3 ttm-85 -63.09 147.94 49.32 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.529 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.95 130.59 70.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.032 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 m -134.13 160.28 41.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.25 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.2 t -74.64 152.57 39.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.846 -0.798 . . . . 1.0 108.846 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' A' ' 72' ' ' PHE . 76.5 tt0 -64.77 -32.71 74.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.46 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.92 -16.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.502 ' H ' ' C ' ' A' ' 70' ' ' GLU . 26.8 t80 -58.3 -39.9 80.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.175 -0.921 . . . . 1.0 109.549 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.72 -42.29 88.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.765 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -69.56 -34.96 74.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.401 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.533 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.2 m-20 -62.61 -49.74 74.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.405 -0.816 . . . . 1.0 112.403 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 m -66.12 -39.44 84.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.694 -0.802 . . . . 1.0 109.93 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.7 m -62.33 -40.95 98.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.83 -67.13 0.86 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.823 0.344 . . . . 1.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 t -60.84 -46.54 90.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.98 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 44.52 42.47 5.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -85.67 -160.78 0.55 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.553 0.692 . . . . 1.0 110.354 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 m -62.48 142.66 57.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.801 -1.09 . . . . 1.0 109.398 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.22 -44.42 95.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.976 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -62.38 -41.95 99.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.131 -0.941 . . . . 1.0 112.113 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -65.51 -38.18 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.854 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.94 -42.11 97.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.037 0.384 . . . . 1.0 112.037 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.489 ' O ' ' OG ' ' A' ' 91' ' ' SER . 4.2 pp -82.81 -11.58 58.14 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 119.859 -0.737 . . . . 1.0 110.996 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.3 m -62.39 -40.63 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.819 0.342 . . . . 1.0 110.362 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.79 -41.02 6.32 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 35.5 m-70 -65.45 -41.65 93.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.755 -178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 44.5 m -40.37 110.25 0.14 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.167 0.984 . . . . 1.0 111.91 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.8 mt -91.31 -1.82 57.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 113.65 -1.614 . . . . 1.0 109.101 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.6 p -139.77 163.62 32.13 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.149 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -121.44 36.72 4.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.57 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.3 p90 -139.54 166.28 25.0 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.41 58.59 0.01 OUTLIER Glycine 0 N--CA 1.465 0.574 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 1.0 111.734 179.219 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.0 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.728 0.299 . . . . 1.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.75 -52.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.57 2.18 . . . . 1.0 112.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.9 mt -98.99 2.33 46.25 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.983 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -68.36 -31.37 70.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.39 0.515 . . . . 1.0 112.39 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -95.99 10.97 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.154 0.427 . . . . 1.0 112.154 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.1 ptm -150.43 168.94 22.67 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.289 -0.564 . . . . 1.0 112.117 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -99.37 166.61 11.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.505 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.9 mm -137.34 149.55 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.596 -0.729 . . . . 1.0 112.255 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.61 142.84 43.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.975 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -113.71 129.46 56.57 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.774 0.321 . . . . 1.0 110.725 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.3 tp -122.79 130.46 52.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.397 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.01 -142.07 45.81 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.593 -0.603 . . . . 1.0 111.593 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -120.9 155.23 34.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.906 0.384 . . . . 1.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -136.09 -176.14 4.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.244 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 t -59.34 -44.18 92.68 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.455 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' OE2' ' A' ' 70' ' ' GLU . 24.7 mt-30 -64.58 160.62 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.818 -0.808 . . . . 1.0 108.818 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.562 HD21 ' CD ' ' A' ' 21' ' ' GLU . 65.3 m-80 -70.7 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.591 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -171.31 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.176 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.1 -41.31 97.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.562 ' CD ' HD21 ' A' ' 18' ' ' ASN . 21.4 pt-20 -67.35 -41.61 84.9 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.547 -0.751 . . . . 1.0 111.136 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.591 -0.731 . . . . 1.0 109.61 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.07 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.753 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 25' ' ' MET . 0.0 OUTLIER -67.07 -40.92 87.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.196 179.558 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.99 -43.8 99.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 1.0 110.366 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -59.19 -43.17 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.08 -40.06 96.54 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.808 0.813 . . . . 1.0 109.61 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.78 -2.62 6.03 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 107.535 -2.226 . . . . 1.0 107.535 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.78 147.99 51.18 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.559 -1.017 . . . . 1.0 110.559 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -122.59 153.5 39.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.985 0.421 . . . . 1.0 110.489 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -97.24 125.08 41.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.768 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.1 m -125.31 132.06 52.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.28 -138.66 0.26 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.2 p 45.91 -126.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.607 -0.349 . . . . 1.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.67 -73.48 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.582 -0.447 . . . . 1.0 111.734 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 21.1 t-20 -59.69 -28.01 66.92 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.89 0.329 . . . . 1.0 111.89 -178.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.36 -35.87 72.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.35 160.3 31.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.412 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.8 p -103.62 -49.64 3.63 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.61 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -129.37 120.94 26.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.428 -178.682 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.432 ' N ' HD12 ' A' ' 42' ' ' LEU . 95.9 m -90.1 144.6 25.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 1.0 108.887 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.95 114.45 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.14 0.495 . . . . 1.0 110.12 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -157.25 149.19 22.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.037 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -93.06 166.09 12.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -37.5 83.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.73 -0.841 . . . . 1.0 108.73 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.62 -11.14 6.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 1.0 110.273 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -106.15 -36.2 6.98 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.097 0.475 . . . . 1.0 109.905 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.56 -42.13 89.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.183 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.74 -26.3 65.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.237 0.541 . . . . 1.0 110.394 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.26 -42.9 99.21 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.475 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.6 mmt 54.72 46.88 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.013 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 178.88 4.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.355 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.63 -40.93 96.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.508 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -60.33 -41.52 93.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.6 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -58.93 -36.28 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.362 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -60.12 -45.12 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.98 -45.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.4 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.82 -44.81 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.873 -0.603 . . . . 1.0 111.327 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.62 -13.51 60.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.531 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -91.75 -1.87 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 m120 57.41 56.09 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.197 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.554 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 61.7 t -124.52 122.66 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -68.89 152.33 45.42 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.216 -0.594 . . . . 1.0 109.692 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.48 134.94 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.936 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.38 158.97 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.63 156.09 37.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.487 0.661 . . . . 1.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 17' ' ' GLN . 85.7 tt0 -61.33 -43.79 98.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.123 -0.944 . . . . 1.0 111.104 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -48.31 -17.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.089 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' N ' ' C ' ' A' ' 70' ' ' GLU . 46.7 t80 -59.23 -42.92 92.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.342 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.76 -42.08 88.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -67.34 -38.78 85.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.32 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' SER . 99.0 m-20 -62.58 -49.57 74.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 1.0 112.071 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 m -66.74 -39.88 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 119.362 -0.935 . . . . 1.0 109.734 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.7 98.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.94 -69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.609 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 75' ' ' ASP . 27.3 m -71.74 141.34 49.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -136.45 68.09 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.885 0.374 . . . . 1.0 110.951 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -112.73 -148.27 0.43 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.884 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . 0.583 ' HG ' ' H ' ' A' ' 85' ' ' GLU . 30.8 t -65.02 129.59 40.26 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.433 0.635 . . . . 1.0 111.579 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.307 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 84' ' ' GLN . 5.8 mp0 -63.26 -41.22 99.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.671 -1.604 . . . . 1.0 111.014 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.583 ' H ' ' HG ' ' A' ' 82' ' ' SER . 79.7 tt0 -66.49 -38.43 87.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.485 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.476 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 78.9 mt -62.98 -44.1 96.98 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.775 -0.37 . . . . 1.0 111.257 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.81 -9.1 58.49 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.425 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.1 t -63.47 -42.95 98.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.079 0.466 . . . . 1.0 110.353 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.4 -43.66 5.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.896 -0.593 . . . . 1.0 112.101 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 16.1 m-70 -58.87 -41.35 86.86 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.929 -0.309 . . . . 1.0 111.313 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -56.4 100.87 0.05 OUTLIER 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.925 0.869 . . . . 1.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.92 -35.18 79.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 114.069 -1.423 . . . . 1.0 108.789 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.0 p -90.66 168.11 12.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.344 0.593 . . . . 1.0 112.097 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -129.22 32.85 4.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.082 -0.963 . . . . 1.0 109.353 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.554 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 8.3 p90 -139.03 165.67 26.52 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.562 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 97' ' ' ALA . . . 146.27 67.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.358 0 N-CA-C 109.959 -1.256 . . . . 1.0 109.959 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.471 0.577 0 C-N-CA 123.839 0.856 . . . . 1.0 109.269 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.85 0.357 . . . . 1.0 111.773 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.65 -57.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.729 2.286 . . . . 1.0 114.012 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.88 -3.87 51.01 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.255 0.465 . . . . 1.0 112.255 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -67.56 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.323 0.86 . . . . 1.0 113.323 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -107.8 23.42 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.7 ptm -159.69 159.98 33.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.774 -0.77 . . . . 1.0 112.429 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' A' ' 41' ' ' SER . 14.6 mptt -97.72 155.11 17.16 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.485 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mm -132.69 135.09 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.1 130.16 56.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.747 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 p -95.94 132.13 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.234 -1.024 . . . . 1.0 108.234 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' GLY . 19.3 tp -107.47 122.46 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.58 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 33.17 -127.66 0.35 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.765 -0.534 . . . . 1.0 111.765 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -82.49 150.12 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.998 0.428 . . . . 1.0 110.906 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER -139.9 169.82 17.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.419 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 17' ' ' GLN . 73.2 m -60.12 -42.53 94.97 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.983 0.364 . . . . 1.0 111.983 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 16' ' ' SER . 35.6 mm-40 -58.38 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.393 0.616 . . . . 1.0 109.733 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.27 -78.24 0.59 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.265 -0.879 . . . . 1.0 109.749 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -179.07 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.342 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -89.05 -21.67 23.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.101 -0.704 . . . . 1.0 109.101 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.33 -10.32 52.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.833 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.44 -61.44 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.851 0.358 . . . . 1.0 110.747 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -40.38 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.39 96.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.235 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -39.86 82.65 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.463 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.72 -43.39 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.738 0.304 . . . . 1.0 111.105 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.71 -31.58 71.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.018 0.437 . . . . 1.0 110.383 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -60.21 -43.93 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.138 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.53 -41.26 98.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 122.544 1.164 . . . . 1.0 109.15 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.62 -2.74 3.8 Favored Glycine 0 C--N 1.317 -0.493 0 N-CA-C 108.093 -2.003 . . . . 1.0 108.093 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.5 157.14 29.72 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -133.51 157.91 44.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.045 0.926 . . . . 1.0 111.676 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.57 129.99 56.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 113.999 -1.455 . . . . 1.0 110.165 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -130.65 158.32 40.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.819 0.343 . . . . 1.0 110.347 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.18 -171.79 48.16 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.45 -0.66 . . . . 1.0 111.45 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.02 -163.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 1.0 110.756 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.572 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -135.78 161.51 35.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.652 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 8.1 t-20 71.51 -25.2 0.17 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 37' ' ' ALA . 87.2 tttt -66.06 -34.18 77.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.87 173.33 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.536 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 54.9 p -103.32 -66.22 0.95 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.212 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.29 123.2 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.2 t -85.04 143.77 28.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.649 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.64 110.01 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 121.369 0.604 . . . . 1.0 111.116 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -159.04 150.0 20.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.67 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 p -93.95 164.75 12.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -36.77 81.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.781 -0.367 . . . . 1.0 110.118 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.86 -40.25 83.77 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -39.5 93.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.561 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.39 -43.17 98.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.125 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.4 -31.84 46.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.113 0.483 . . . . 1.0 111.593 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.31 -39.2 93.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.586 -0.733 . . . . 1.0 110.952 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.5 mmt 56.75 46.45 19.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.543 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 55' ' ' LYS . 35.9 t -77.79 -171.05 2.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OG ' ' A' ' 54' ' ' SER . 98.7 mttt -61.51 -39.49 91.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.059 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -60.67 -42.55 97.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.414 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 mmm -61.97 -40.23 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 1.0 110.633 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.58 -38.17 74.4 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.433 -0.507 . . . . 1.0 111.252 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.63 -44.05 78.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.902 -0.719 . . . . 1.0 110.835 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.34 -47.99 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 1.0 110.953 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.25 -43.7 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.987 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.02 -6.95 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.177 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.23 51.6 8.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.39 0.614 . . . . 1.0 110.005 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.565 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.6 t -117.88 125.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.87 156.49 27.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.817 -0.808 . . . . 1.0 108.817 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.2 t -117.28 129.25 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.885 0.374 . . . . 1.0 110.548 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.3 t -129.05 133.64 65.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.517 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 4.8 t -71.76 163.29 28.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.05 0.452 . . . . 1.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.62 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 57.0 mp0 -59.81 -40.56 88.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.866 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -42.65 -23.6 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.268 0.556 . . . . 1.0 110.427 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLU . 35.1 t80 -61.14 -41.96 97.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.968 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.1 -40.31 93.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.197 -0.668 . . . . 1.0 109.197 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.562 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.9 m-20 -63.15 -47.81 81.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 1.0 112.547 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.2 m -67.96 -38.9 80.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.768 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -63.34 -41.68 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.544 -0.753 . . . . 1.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.28 -67.95 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.166 0.507 . . . . 1.0 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 75' ' ' ASP . 10.3 p -70.01 147.05 50.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.461 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.54 7.55 46.26 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.186 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -50.67 156.28 0.96 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.129 -0.941 . . . . 1.0 112.252 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -71.46 152.12 43.36 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.645 -1.616 . . . . 1.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.84 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.871 -1.059 . . . . 1.0 111.529 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.44 ' O ' ' OG ' ' A' ' 88' ' ' SER . 91.6 mm-40 -60.26 -43.11 96.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.569 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.579 ' N ' ' OE1' ' A' ' 85' ' ' GLU . 42.6 mp0 -67.53 -40.48 85.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.402 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.47 -44.16 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 91' ' ' SER . 3.8 pp -78.29 -22.56 48.05 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.655 -0.418 . . . . 1.0 110.85 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 84' ' ' GLN . 39.3 m -60.89 -42.82 98.72 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.777 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.0 -45.41 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.167 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.562 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 74.3 m-70 -67.08 -38.91 86.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 3.9 p -34.81 108.89 0.07 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.752 0.787 . . . . 1.0 112.299 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.6 mt -91.71 -2.44 57.0 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.212 -1.358 . . . . 1.0 109.921 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.567 ' OG ' ' CD2' ' A' ' 95' ' ' TRP . 26.8 t -132.88 148.78 52.29 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.301 0.572 . . . . 1.0 112.147 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.9 m -102.98 22.65 13.55 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.61 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.567 ' CD2' ' OG ' ' A' ' 93' ' ' SER . 4.6 p90 -137.03 166.13 24.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.022 0.439 . . . . 1.0 110.937 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 97' ' ' ALA . . . 155.98 54.69 0.01 OUTLIER Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.259 -0.736 . . . . 1.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.681 0.276 . . . . 1.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.7 mttt . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.582 0.229 . . . . 1.0 110.712 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.439 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 83.1 Cg_endo -79.01 -60.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.276 1.984 . . . . 1.0 112.158 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.439 ' H ' ' HG2' ' A' ' 3' ' ' PRO . 10.8 mp -95.93 1.32 52.81 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.396 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -78.02 -6.92 56.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.312 . . . . 1.0 110.977 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -116.5 19.43 14.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.201 -0.454 . . . . 1.0 112.061 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 ptm -162.08 174.64 12.71 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 119.583 -0.847 . . . . 1.0 112.167 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -102.96 153.82 19.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.234 -0.894 . . . . 1.0 108.851 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mm -129.02 134.64 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.07 0.462 . . . . 1.0 111.867 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 tt -112.13 132.05 55.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.577 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p -103.59 123.33 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.734 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -43.13 99.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.73 -123.69 1.19 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.67 134.58 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 110.24 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -139.55 -169.83 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.402 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -61.79 -44.55 96.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.782 -0.367 . . . . 1.0 111.815 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' N ' ' OE2' ' A' ' 70' ' ' GLU . 37.0 mt-30 -74.57 139.11 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 1.0 110.142 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.46 HD21 ' CD ' ' A' ' 21' ' ' GLU . 40.2 m-80 -63.53 165.41 8.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.46 0.648 . . . . 1.0 110.512 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.92 -46.69 87.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.053 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.61 -41.56 68.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.214 0.53 . . . . 1.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.46 ' CD ' HD21 ' A' ' 18' ' ' ASN . 97.3 mt-10 -71.15 -45.01 64.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.251 0.834 . . . . 1.0 113.251 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.22 89.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 1.0 110.505 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -62.77 -42.19 99.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.533 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.02 98.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.326 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.428 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.2 tpp -65.73 -46.01 80.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.847 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.99 -44.54 99.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.045 0.45 . . . . 1.0 110.876 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.84 -32.92 70.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.383 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.56 -47.32 85.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.325 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.66 -40.32 96.54 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.022 0.915 . . . . 1.0 108.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.41 -1.11 3.62 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.083 -1.607 . . . . 1.0 109.083 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.08 146.98 47.57 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.218 -0.515 . . . . 1.0 111.885 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -127.55 149.02 50.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.056 -0.572 . . . . 1.0 110.448 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.484 ' O ' ' OG1' ' A' ' 34' ' ' THR . 94.0 mt -103.84 121.54 43.27 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.979 -0.748 . . . . 1.0 108.979 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 1.3 m 175.61 161.02 0.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' N ' ' CG2' ' A' ' 34' ' ' THR . . . 109.44 133.23 6.66 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.435 -0.666 . . . . 1.0 111.435 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.6 m -61.12 -43.01 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 1.0 110.294 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -170.47 -79.29 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 22.3 t-20 -63.45 -32.11 73.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.981 0.363 . . . . 1.0 111.981 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -51.81 -33.39 35.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.5 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.217 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.8 t -95.5 -68.47 0.8 Allowed 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.819 -0.753 . . . . 1.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD2' ' HE ' ' A' ' 66' ' ' ARG . 83.0 mt -125.77 116.83 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.368 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.7 t -77.23 142.32 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.01 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.64 107.94 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.644 0.735 . . . . 1.0 110.263 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -151.72 134.97 15.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.961 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.3 p -87.65 166.56 14.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 1.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -55.46 -41.29 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.737 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -54.76 -43.57 72.85 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.373 0.421 . . . . 1.0 110.509 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.5 -37.48 86.91 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.697 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.86 -23.44 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.922 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -67.31 -36.4 81.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.772 0.796 . . . . 1.0 109.498 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -62.7 -42.62 99.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.186 -1.37 . . . . 1.0 112.867 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.68 44.85 28.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -72.82 175.94 6.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.744 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.97 85.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.144 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -61.49 -40.32 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -61.03 -39.1 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.86 -36.84 82.43 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.101 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.95 -45.01 94.46 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -63.89 -44.44 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.356 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.43 -45.83 92.24 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.09 67.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.74 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.558 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -87.16 -4.74 59.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.773 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 m120 55.75 55.59 6.95 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.589 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.615 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.5 t -118.84 123.54 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.97 -0.381 . . . . 1.0 109.97 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.472 ' HE ' ' CD2' ' A' ' 42' ' ' LEU . 57.5 ttp180 -59.2 158.11 9.51 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 91' ' ' SER . 50.9 t -114.66 133.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.927 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -122.69 133.33 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.0 t -71.89 154.05 41.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.176 0.512 . . . . 1.0 110.395 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 17' ' ' GLN . 84.7 tt0 -60.78 -34.99 75.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.147 -0.933 . . . . 1.0 111.859 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.77 -15.94 35.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.46 -42.09 95.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.27 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.83 -43.42 90.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.717 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.448 HE21 ' NE2' ' A' ' 17' ' ' GLN . 13.0 mt-30 -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.653 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.547 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 87.7 m-20 -63.21 -48.34 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.53 -42.75 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.721 -0.791 . . . . 1.0 109.797 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 p -64.33 -44.71 90.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.18 -49.02 38.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 1.0 111.052 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -122.14 136.32 54.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.951 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.03 66.83 0.73 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.801 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -92.88 -158.49 0.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.855 0.836 . . . . 1.0 110.662 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.6 m -76.41 139.4 40.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.962 -1.472 . . . . 1.0 110.983 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.9 tp -63.7 -43.02 97.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 1.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -62.23 -40.56 96.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.922 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.502 ' O ' ' OG ' ' A' ' 88' ' ' SER . 51.4 tp10 -66.68 -41.93 87.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.113 -0.635 . . . . 1.0 110.684 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.15 -42.01 99.38 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.492 ' O ' ' OG ' ' A' ' 91' ' ' SER . 3.2 pp -80.31 -4.58 53.95 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.083 -0.247 . . . . 1.0 110.831 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 94.5 p -64.01 -34.62 78.42 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.25 -37.08 3.11 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.635 0.606 . . . . 1.0 112.635 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.547 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 45.1 m-70 -66.47 -29.37 69.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.752 0.311 . . . . 1.0 111.331 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.669 ' C ' ' H ' ' A' ' 93' ' ' SER . 77.8 p -61.84 -24.56 66.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.926 0.713 . . . . 1.0 112.926 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 93' ' ' SER . 73.2 mt 70.74 -24.65 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.669 ' H ' ' C ' ' A' ' 91' ' ' SER . 26.2 t 52.96 123.22 0.0 OUTLIER 'General case' 0 C--N 1.341 0.212 0 CA-C-N 115.656 -0.702 . . . . 1.0 112.151 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -166.69 -56.27 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.101 -0.954 . . . . 1.0 110.405 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.615 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 42.9 p90 -151.83 -164.88 2.08 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.1 54.1 0.1 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.273 -0.731 . . . . 1.0 111.273 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.713 0.292 . . . . 1.0 110.235 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.72 -53.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.506 2.137 . . . . 1.0 113.867 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 4.2 mm? -96.34 1.32 51.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.574 0.213 . . . . 1.0 111.574 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 6.5 m -78.56 128.11 33.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.744 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' SER . 12.3 m120 95.22 18.97 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.245 0.966 . . . . 1.0 110.423 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.5 ptm -150.85 153.75 35.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.551 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' ' 41' ' ' SER . 12.7 mptt -100.2 160.4 14.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.38 0.61 . . . . 1.0 110.128 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.8 mt -129.14 151.56 35.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.409 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -136.15 137.45 40.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.763 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.6 p -104.2 115.84 31.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.52 -0.918 . . . . 1.0 108.52 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.7 tp -82.47 -77.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 1.0 111.202 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.7 -154.2 30.01 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.226 -0.511 . . . . 1.0 111.946 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -56.2 147.59 20.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -0.599 . . . . 1.0 111.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -106.92 127.34 53.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.87 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.0 m -62.33 -43.78 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.488 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' NE2' ' NE2' ' A' ' 74' ' ' GLN . 9.8 mt-30 -68.68 170.08 10.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.419 -0.81 . . . . 1.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -77.01 -147.54 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.176 -0.61 . . . . 1.0 109.426 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HZ3' ' HZ1' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -105.42 -58.79 1.85 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.845 0.355 . . . . 1.0 110.543 -179.263 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.86 -36.77 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.098 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.16 -45.84 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.93 -46.26 91.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.868 -0.733 . . . . 1.0 109.696 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.522 ' HZ1' ' HZ3' ' A' ' 19' ' ' LYS . 98.1 mttt -63.11 -43.39 98.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.186 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.63 95.73 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.499 -0.481 . . . . 1.0 110.653 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -42.08 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.532 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.28 -44.38 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.628 -0.429 . . . . 1.0 112.132 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.03 -33.66 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.43 -0.508 . . . . 1.0 112.308 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.26 -43.65 95.97 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.596 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -63.48 -41.88 98.58 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.309 1.052 . . . . 1.0 109.446 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.57 -7.52 4.59 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.94 -2.064 . . . . 1.0 107.94 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 149.0 42.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -132.54 151.52 51.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.862 0.363 . . . . 1.0 110.448 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.18 119.72 39.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.34 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 35' ' ' GLY . 1.8 t 173.87 173.9 0.16 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' N ' ' OG1' ' A' ' 34' ' ' THR . . . 103.41 141.67 11.49 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.147 -0.479 . . . . 1.0 112.355 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -41.71 61.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.107 0.48 . . . . 1.0 110.154 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.78 -80.25 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.345 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 20.0 t-20 -63.68 -28.92 70.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.72 -35.74 68.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.55 161.38 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.59 ' HG ' ' H ' ' A' ' 42' ' ' LEU . 89.2 p -98.37 -61.38 1.39 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 119.992 -0.683 . . . . 1.0 109.772 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.59 ' H ' ' HG ' ' A' ' 41' ' ' SER . 90.5 mt -124.94 116.76 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.008 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 44' ' ' ILE . 2.8 t -82.01 154.94 25.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.452 -0.795 . . . . 1.0 110.264 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 46.9 mm -100.36 113.47 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 121.172 0.511 . . . . 1.0 110.577 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.9 m -159.45 159.53 33.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.783 . . . . 1.0 110.277 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -122.57 172.9 8.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.447 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 49' ' ' GLU . 26.0 mmtt -57.06 -42.21 80.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.188 0.518 . . . . 1.0 109.64 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.93 -9.54 0.13 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.501 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 47' ' ' LYS . 94.6 mt-10 -113.77 -42.89 3.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.149 0.499 . . . . 1.0 110.211 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.41 -42.35 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.711 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' A' ' 47' ' ' LYS . 80.8 mm-40 -54.95 -31.48 60.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.718 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -65.03 -38.44 90.89 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.78 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.5 mmt 58.26 50.51 9.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.189 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 p -81.26 177.35 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.992 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.51 -37.27 80.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.793 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -59.28 -42.56 91.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.898 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.3 -38.67 92.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.368 0.604 . . . . 1.0 109.695 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -38.01 81.74 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.019 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.54 -46.11 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.77 0.319 . . . . 1.0 110.329 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.11 -44.87 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.22 -0.659 . . . . 1.0 109.22 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.99 -45.13 94.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 111.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.64 60.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.0 109.797 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.95 0.15 55.92 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.506 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m120 56.49 54.01 7.98 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.565 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.561 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 72.8 t -124.56 115.82 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.828 0.347 . . . . 1.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -62.84 158.05 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' SER . 47.8 t -116.44 134.49 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.816 0.341 . . . . 1.0 111.372 -177.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -127.18 132.25 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 151.33 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.177 0.513 . . . . 1.0 110.585 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.553 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 59.4 mp0 -46.15 -26.76 0.82 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.871 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.3 -18.86 65.0 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.28 -43.91 96.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.594 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.3 mt -62.03 -43.11 99.53 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.152 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 3.3 mp0 -72.37 -34.79 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.47 -47.68 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.467 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.9 m -68.42 -38.35 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.396 0.617 . . . . 1.0 110.742 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 78' ' ' ALA . 86.1 p -61.24 -40.03 92.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.533 -0.758 . . . . 1.0 110.808 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' HG ' ' A' ' 77' ' ' SER . . . -93.32 -66.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.811 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.478 ' OG ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 t -68.42 -38.37 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.712 -178.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 53.56 31.44 12.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 1.0 110.894 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.478 ' CD ' ' OG ' ' A' ' 79' ' ' SER . 47.3 mtpt -68.39 -175.08 0.59 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.963 0.887 . . . . 1.0 112.697 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 150.7 43.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.577 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.79 -41.1 99.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 1.0 110.902 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.14 -41.45 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.879 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.96 -41.92 86.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 1.0 110.97 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.25 -41.92 99.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.268 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 87' ' ' LEU . 4.0 pp -79.33 -5.13 53.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 1.0 110.564 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.6 m -61.49 -40.49 94.75 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.07 -20.9 5.19 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.814 0.672 . . . . 1.0 112.814 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -87.92 -7.5 57.06 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 93' ' ' SER . 69.5 p -60.2 -30.15 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 1.0 112.194 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.8 mt 43.92 13.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.065 0.459 . . . . 1.0 110.774 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.621 ' HG ' ' H ' ' A' ' 95' ' ' TRP . 4.0 t -154.41 171.72 18.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.634 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.426 ' N ' ' OG ' ' A' ' 93' ' ' SER . 19.7 m -134.13 28.99 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.739 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.621 ' H ' ' HG ' ' A' ' 93' ' ' SER . 24.4 p90 -141.4 167.45 22.13 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.04 59.13 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.184 -1.166 . . . . 1.0 110.184 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.758 0.313 . . . . 1.0 110.95 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.521 ' H ' ' CD ' ' A' ' 3' ' ' PRO . 18.0 tptt . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 95.2 Cg_endo -89.1 -57.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.998 0 C-N-CA 121.446 1.43 . . . . 1.0 113.804 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.3 -2.63 35.98 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -65.04 -34.8 79.29 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -98.71 13.37 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.513 0.56 . . . . 1.0 112.513 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.51 158.74 44.32 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.302 -0.559 . . . . 1.0 111.942 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -104.23 153.42 21.01 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.2 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 mm -121.41 137.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.739 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -110.25 133.12 53.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -118.37 125.79 50.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.62 -0.263 . . . . 1.0 111.069 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' CD1' ' SG ' ' A' ' 43' ' ' CYS . 9.2 mp -62.25 -42.1 99.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.33 -68.17 0.27 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.93 130.77 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.3 tp -131.72 133.1 44.46 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -61.26 -44.6 96.97 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.873 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 5.4 mt-30 -57.42 172.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.518 HD21 ' CD ' ' A' ' 21' ' ' GLU . 66.9 m-80 -74.26 -76.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.68 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 -63.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 1.0 109.967 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.68 -38.96 93.07 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.536 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' CD ' HD21 ' A' ' 18' ' ' ASN . 20.8 pt-20 -68.91 -40.99 78.78 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.867 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 21' ' ' GLU . . . -59.44 -50.88 72.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.059 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.58 -43.84 97.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.978 -1.01 . . . . 1.0 111.266 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.54 74.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.877 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 ptm -67.87 -41.18 83.25 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 120.033 -0.667 . . . . 1.0 112.247 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.701 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.62 -30.65 59.59 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.3 -44.81 92.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.981 0.42 . . . . 1.0 110.628 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.0 mt -62.74 -39.78 95.16 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 107.786 -1.191 . . . . 1.0 107.786 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.59 0.91 7.2 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 107.377 -2.289 . . . . 1.0 107.377 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.85 154.32 36.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -139.03 153.29 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.109 -0.33 . . . . 1.0 110.109 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -95.57 125.75 40.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.352 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 119.46 34.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.136 0.493 . . . . 1.0 110.754 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -37.4 85.86 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.765 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 m -64.28 142.41 58.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.556 0.217 . . . . 1.0 110.653 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -91.69 157.2 17.08 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.364 -0.38 . . . . 1.0 109.996 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 7.6 t-20 72.72 -35.93 0.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.359 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 37' ' ' ALA . 65.4 tttm -64.78 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.381 0.61 . . . . 1.0 109.48 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.73 176.74 2.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.277 -0.874 . . . . 1.0 110.262 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.7 m -106.84 -68.08 0.91 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.49 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.05 120.94 38.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 1.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 12' ' ' LEU . 5.4 t -80.05 151.87 29.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.723 -1.126 . . . . 1.0 110.069 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 11.7 mm -102.23 108.9 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 8.1 t -158.72 136.21 10.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.771 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -90.6 167.2 12.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.322 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -56.03 -39.92 72.69 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.161 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -55.96 -42.87 76.89 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.371 -0.932 . . . . 1.0 109.098 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -71.04 -43.55 67.61 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.67 -42.45 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.914 0.387 . . . . 1.0 110.555 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.23 -33.35 63.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -64.79 -38.41 90.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.574 0.226 . . . . 1.0 111.177 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.9 mmt 60.51 54.35 3.82 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.769 -0.65 . . . . 1.0 109.97 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -82.66 -176.34 6.22 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.292 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.92 -43.77 94.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.45 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.66 -41.12 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 1.0 110.233 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.148 -0.686 . . . . 1.0 109.148 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -39.19 78.78 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.333 -0.848 . . . . 1.0 109.558 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.87 -42.58 90.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.77 -47.98 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.185 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -63.52 -44.36 94.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 1.0 110.62 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.25 -10.84 59.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.971 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.538 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.57 -2.73 53.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.167 -0.309 . . . . 1.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m120 57.68 56.24 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.232 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.541 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 54.0 t -125.24 125.97 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.199 -0.667 . . . . 1.0 109.199 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -64.64 151.46 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.18 131.95 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.165 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.81 157.43 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . 0.511 ' HG ' ' H ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -79.27 155.38 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 179.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 72' ' ' PHE . 79.7 tt0 -61.11 -34.17 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.857 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.511 ' H ' ' HG ' ' A' ' 69' ' ' CYS . 69.1 m-20 -49.42 -14.25 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 70' ' ' GLU . 10.5 t80 -59.89 -41.03 90.7 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 1.0 108.916 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.56 -42.07 91.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.036 -0.727 . . . . 1.0 109.036 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -65.97 -39.11 90.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.194 0.521 . . . . 1.0 110.297 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.567 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.7 m-20 -62.14 -48.61 79.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.461 -0.791 . . . . 1.0 112.504 -178.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.0 -37.87 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.716 0.769 . . . . 1.0 109.673 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.8 t -62.2 -43.45 98.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.572 -1.195 . . . . 1.0 110.64 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.76 -63.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.018 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -105.92 125.04 50.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.34 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.31 69.21 0.74 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.565 ' HZ2' ' CG ' ' A' ' 85' ' ' GLU . 22.9 pttp -103.04 -153.3 0.47 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.582 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.5 t -63.39 132.36 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.067 0.46 . . . . 1.0 111.443 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.49 -42.8 95.64 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.067 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -58.56 -42.36 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 113.647 -1.615 . . . . 1.0 111.015 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.565 ' CG ' ' HZ2' ' A' ' 81' ' ' LYS . 81.7 tt0 -66.42 -38.87 88.41 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.829 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 93.1 mt -64.52 -44.0 92.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.318 -0.553 . . . . 1.0 111.961 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' O ' ' OG ' ' A' ' 91' ' ' SER . 3.7 pp -80.87 -17.07 51.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.642 -0.423 . . . . 1.0 111.563 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 76.2 p -63.32 -40.31 96.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.336 -0.546 . . . . 1.0 110.638 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.42 -21.96 15.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.765 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.567 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 39.8 m-70 -90.47 -11.43 40.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.004 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 3.1 p -67.38 94.22 0.38 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.708 0.766 . . . . 1.0 111.013 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.4 ' CD1' ' O ' ' A' ' 45' ' ' SER . 83.0 mt -69.83 -21.48 63.37 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.273 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.8 m -126.46 156.05 41.28 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.283 0.563 . . . . 1.0 111.486 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 p -104.88 24.11 12.41 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.527 -0.76 . . . . 1.0 111.004 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.541 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.5 p90 -132.3 173.39 11.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.673 0.273 . . . . 1.0 110.693 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.77 -7.61 0.16 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.736 -0.745 . . . . 1.0 112.42 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.365 0 N-CA-C 110.482 -0.192 . . . . 1.0 110.482 -179.711 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.748 0.277 . . . . 1.0 111.748 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.18 -56.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 121.859 1.706 . . . . 1.0 112.38 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.26 0.85 43.97 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.775 -0.193 . . . . 1.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 29' ' ' LEU . 6.5 m -79.17 -7.77 58.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.219 0.452 . . . . 1.0 112.219 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -114.85 14.84 17.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.637 0.256 . . . . 1.0 111.254 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ptm -152.98 160.89 43.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.063 0.458 . . . . 1.0 111.373 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -100.37 155.67 17.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.31 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 115.883 -0.599 . . . . 1.0 112.538 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -120.93 137.61 54.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.189 -0.914 . . . . 1.0 110.395 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -99.68 112.31 24.55 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.0 -43.3 96.07 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.6 -94.08 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.54 -0.838 . . . . 1.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.79 131.87 45.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 1.0 110.35 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.73 131.44 53.79 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.271 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -61.73 -46.71 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.605 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.59 170.91 12.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.554 HD22 ' CD ' ' A' ' 21' ' ' GLU . 18.2 p30 -91.89 169.96 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.113 0.482 . . . . 1.0 110.544 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -49.95 -71.8 0.06 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.508 0.929 . . . . 1.0 113.508 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.19 -48.34 79.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.777 1.028 . . . . 1.0 113.777 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.554 ' CD ' HD22 ' A' ' 18' ' ' ASN . 48.9 mt-10 -69.71 -41.69 75.03 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.205 -0.598 . . . . 1.0 112.53 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.2 -49.55 75.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.755 0.788 . . . . 1.0 109.38 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.06 -43.7 97.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.4 -1.273 . . . . 1.0 110.272 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.68 85.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.864 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.0 tpp -62.9 -44.75 95.24 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.009 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.24 -44.71 99.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -70.88 -31.6 68.31 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.672 -0.411 . . . . 1.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -59.66 -45.86 90.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.36 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 5' ' ' SER . 12.7 mt -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.123 0.963 . . . . 1.0 109.147 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.27 -3.64 4.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.237 -1.945 . . . . 1.0 108.237 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.98 151.64 41.38 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -132.47 150.95 52.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.681 0.276 . . . . 1.0 110.46 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.472 ' O ' ' OG1' ' A' ' 34' ' ' THR . 90.0 mt -101.38 107.08 18.32 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 3.5 m -170.27 164.07 8.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.151 0.501 . . . . 1.0 111.276 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.2 128.3 6.34 Favored Glycine 0 CA--C 1.522 0.501 0 CA-C-N 115.397 -0.82 . . . . 1.0 111.186 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.2 p -68.06 -38.35 82.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.471 0.177 . . . . 1.0 111.073 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.37 -89.33 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 120.908 -0.317 . . . . 1.0 111.367 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.34 -31.02 72.05 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -52.37 -35.34 51.13 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.247 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 174.28 7.03 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.109 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -100.88 -76.92 0.55 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.214 0.531 . . . . 1.0 109.911 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.23 123.58 48.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.353 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 t -82.63 143.71 30.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.785 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -91.85 109.55 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.166 0.508 . . . . 1.0 110.148 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -154.0 139.96 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.655 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.5 p -84.01 168.97 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -61.85 -37.48 84.64 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -58.94 -41.1 86.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.461 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -65.8 -41.0 92.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 1.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.66 -42.15 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.773 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -53.73 -29.51 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 1.0 111.431 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.788 -0.642 . . . . 1.0 111.819 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.7 mmt 57.29 47.3 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.381 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -74.96 174.87 8.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.135 -0.939 . . . . 1.0 110.887 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -59.82 -37.88 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.636 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -63.1 -40.73 98.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.869 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -61.73 -40.17 94.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.984 0.421 . . . . 1.0 110.744 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.44 -31.84 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.622 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.2 -45.49 80.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.706 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.4 -46.35 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.523 . . . . 1.0 109.726 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -63.97 -44.5 92.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.588 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.48 -11.26 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.221 0.534 . . . . 1.0 110.563 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.05 0.51 54.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.179 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m120 57.91 57.03 4.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.205 0.526 . . . . 1.0 110.679 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 67.3 t -124.13 116.39 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.503 -0.771 . . . . 1.0 109.732 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -65.9 157.02 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.22 132.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.4 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 p -122.8 134.27 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.781 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.54 159.96 27.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.27 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 57.7 mp0 -63.4 -33.93 76.62 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.211 0.449 . . . . 1.0 112.211 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -59.11 -15.88 16.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.107 -0.637 . . . . 1.0 109.332 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -61.04 -41.91 97.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.403 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.77 -42.44 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.222 -0.899 . . . . 1.0 110.396 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -67.27 -40.05 86.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.423 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 95.2 m-20 -63.06 -47.99 80.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.99 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.74 -37.6 77.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.74 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.8 p -62.62 -38.31 89.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.864 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.26 -64.83 1.1 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.608 0.595 . . . . 1.0 112.608 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.424 ' H ' ' HG ' ' A' ' 79' ' ' SER . 2.6 m -61.13 -41.61 97.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.864 -0.607 . . . . 1.0 112.258 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 50.78 42.07 27.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.036 0.384 . . . . 1.0 112.036 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -79.71 -168.35 1.55 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.82 0.819 . . . . 1.0 111.389 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.5 m -73.41 144.03 46.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.113 -1.403 . . . . 1.0 109.668 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.22 -42.52 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.369 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -60.67 -44.89 95.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.772 -0.371 . . . . 1.0 111.505 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -67.3 -37.79 83.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.339 0.59 . . . . 1.0 109.646 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 41.2 mt -63.52 -42.87 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.575 -0.739 . . . . 1.0 112.314 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.37 -11.07 58.8 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.099 -0.64 . . . . 1.0 110.432 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -62.67 -41.52 99.12 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.456 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.98 -28.24 9.69 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.606 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 35.1 m-70 -80.28 -21.71 42.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.676 -0.41 . . . . 1.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 93' ' ' SER . 27.2 t -61.95 122.54 15.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.053 0.93 . . . . 1.0 110.033 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 mt -98.64 2.84 47.63 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 113.664 -1.607 . . . . 1.0 110.363 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 91' ' ' SER . 27.3 p -148.76 160.88 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.441 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -116.7 38.72 3.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.92 0.39 . . . . 1.0 111.346 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.559 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.8 p90 -142.08 163.31 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.791 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ALA . . . 149.2 54.71 0.02 OUTLIER Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.409 ' CB ' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 1.0 110.332 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.2 mttm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.666 0.27 . . . . 1.0 110.755 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.11 -51.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.431 2.088 . . . . 1.0 112.713 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -104.35 3.21 32.17 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 1.0 112.269 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -70.98 -17.26 62.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.54 -0.464 . . . . 1.0 111.707 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -104.74 3.92 31.85 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 121.05 -0.26 . . . . 1.0 111.651 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.0 ptm -147.72 166.39 27.61 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.788 -0.765 . . . . 1.0 112.421 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.474 ' O ' ' OG ' ' A' ' 41' ' ' SER . 13.9 mptt -101.39 175.45 5.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 114.809 -1.087 . . . . 1.0 108.553 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.6 mm -140.75 152.06 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.49 140.66 50.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.922 0.392 . . . . 1.0 110.742 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -109.61 104.55 13.59 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.594 -0.891 . . . . 1.0 108.594 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.27 -42.66 99.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.688 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' LYS . . . 169.04 158.71 13.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.264 -0.735 . . . . 1.0 111.264 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 13' ' ' GLY . 59.9 tttm 56.17 152.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 1.0 111.065 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.7 tp -167.49 127.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.494 -0.483 . . . . 1.0 110.456 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 t -65.02 -43.32 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 1.0 110.636 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.634 ' NE2' ' NE2' ' A' ' 74' ' ' GLN . 48.5 mt-30 -67.77 150.29 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.407 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -73.58 160.3 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 19.4 ptmt -56.89 -47.07 81.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.629 -0.829 . . . . 1.0 111.079 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 46.6 t0 -65.06 -47.81 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.42 -43.82 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.217 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.78 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.26 0.552 . . . . 1.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CB ' ' NZ ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.18 -43.0 99.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.231 -178.08 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 23' ' ' LYS . . . -60.17 -49.8 76.21 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.432 -0.507 . . . . 1.0 111.176 -179.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 ptm -66.51 -39.62 88.76 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.973 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.91 -44.22 99.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.829 -0.349 . . . . 1.0 111.916 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.79 -23.89 52.87 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.14 -45.93 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.193 0.521 . . . . 1.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.81 -40.29 96.29 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 122.38 1.086 . . . . 1.0 109.282 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.08 -1.57 5.82 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 107.548 -2.221 . . . . 1.0 107.548 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 152.52 32.59 Favored Glycine 0 C--N 1.34 0.765 0 N-CA-C 110.238 -1.145 . . . . 1.0 110.238 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -141.16 150.44 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.644 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -97.23 138.3 34.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.9 t -135.49 161.17 36.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.446 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -87.18 -133.94 3.98 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.4 t 38.43 -146.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.01 -66.37 0.38 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.026 -0.27 . . . . 1.0 110.301 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -62.58 -25.6 68.16 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.423 0.527 . . . . 1.0 112.423 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -58.66 -36.26 73.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.48 167.97 20.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.722 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 30.0 p -102.1 -69.63 0.78 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.312 0.577 . . . . 1.0 109.551 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.89 119.45 37.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.756 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.0 t -84.16 138.44 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.016 -0.993 . . . . 1.0 110.599 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.69 111.84 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.533 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -164.62 147.74 8.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.652 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 p -90.48 164.73 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -39.9 89.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.56 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.82 -43.93 77.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.56 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -62.74 -40.39 97.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.378 0.609 . . . . 1.0 109.85 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.42 -43.28 96.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.317 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -56.98 -19.21 16.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.782 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -63.49 -40.75 97.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.8 mmt 52.45 48.0 23.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.116 -0.947 . . . . 1.0 110.112 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -85.41 179.88 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.13 -41.57 92.97 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.254 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.46 -42.87 92.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -39.17 92.14 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.525 -0.546 . . . . 1.0 109.525 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -36.82 76.35 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.997 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -63.86 -42.12 97.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.206 0.527 . . . . 1.0 109.874 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.6 -44.62 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.576 -0.898 . . . . 1.0 108.576 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.2 -48.31 80.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.624 -1.171 . . . . 1.0 112.098 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.95 60.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.082 0.468 . . . . 1.0 110.617 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.83 -2.01 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.467 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 m120 58.17 55.45 5.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.96 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.578 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 79.7 t -122.48 124.42 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -70.82 156.51 39.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' SER . 41.6 t -108.64 131.44 59.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.53 140.32 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.296 0.57 . . . . 1.0 111.309 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.1 p -67.78 153.73 43.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.464 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -65.51 -33.59 76.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.898 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.27 -14.12 10.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 72' ' ' PHE . 42.7 t80 -59.66 -42.53 93.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.462 -0.79 . . . . 1.0 111.112 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.31 -42.18 90.77 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.032 -0.729 . . . . 1.0 109.032 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.634 ' NE2' ' NE2' ' A' ' 17' ' ' GLN . 2.4 mp0 -72.26 -33.73 67.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 1.0 111.28 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 79' ' ' SER . 92.6 m-20 -64.36 -47.62 78.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.415 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.75 -39.27 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.569 -0.853 . . . . 1.0 109.511 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.604 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.79 -67.18 0.87 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.253 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.8 m -64.57 143.21 58.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.257 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.82 27.5 8.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.583 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -72.46 -164.01 0.14 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.827 0.822 . . . . 1.0 110.65 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -77.77 145.07 36.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.979 -1.464 . . . . 1.0 110.519 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.4 -43.53 97.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.194 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -66.2 -40.97 90.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.947 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.83 -32.88 74.65 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.899 0.38 . . . . 1.0 110.82 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.47 -39.76 94.47 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.744 -0.382 . . . . 1.0 110.267 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 91' ' ' SER . 10.8 mt -62.94 -26.0 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.331 0.586 . . . . 1.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 m -51.01 -38.69 52.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.168 -0.923 . . . . 1.0 110.806 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.06 10.8 17.53 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.229 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.423 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 46.1 m-70 -131.75 -4.42 3.65 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.998 -0.281 . . . . 1.0 111.738 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.621 ' C ' ' H ' ' A' ' 93' ' ' SER . 67.8 m -59.17 -40.17 84.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.404 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.7 mt 46.21 4.56 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.528 -0.305 . . . . 1.0 111.604 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.621 ' H ' ' C ' ' A' ' 91' ' ' SER . 12.1 t -155.06 161.25 41.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.62 -0.264 . . . . 1.0 110.694 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -114.32 8.93 16.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.578 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 29.3 p90 -123.25 171.0 9.7 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.04 0.447 . . . . 1.0 111.218 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 97' ' ' ALA . . . 143.21 64.7 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.389 -1.084 . . . . 1.0 110.389 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 121.332 0.587 . . . . 1.0 110.174 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.742 0.306 . . . . 1.0 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.59 -54.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.684 2.256 . . . . 1.0 112.129 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -103.01 -2.19 28.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 86.3 p -84.1 90.46 7.47 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.665 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 5' ' ' SER . 10.4 p30 147.85 -6.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.386 1.054 . . . . 1.0 109.021 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 ptm -134.27 151.16 51.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.909 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -93.51 155.1 17.52 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.3 mt -128.5 153.81 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.569 0.952 . . . . 1.0 113.569 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tt -133.73 150.42 51.49 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.312 -1.313 . . . . 1.0 110.28 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -133.41 144.13 49.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -116.6 124.04 48.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.164 0.507 . . . . 1.0 112.025 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.64 -130.53 45.96 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.516 -0.766 . . . . 1.0 113.808 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -60.6 137.32 58.19 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.372 -0.914 . . . . 1.0 113.226 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.6 tp -124.45 128.59 49.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.604 -1.18 . . . . 1.0 109.468 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -61.48 -43.62 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.132 0.492 . . . . 1.0 110.339 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.0 148.75 43.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.806 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -78.99 -161.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.671 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.73 -71.44 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.606 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.65 -43.61 97.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.998 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -38.69 92.03 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.836 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 -65.59 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.876 -0.73 . . . . 1.0 111.464 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.17 -40.32 85.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.468 0.544 . . . . 1.0 112.468 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.53 95.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.833 -0.747 . . . . 1.0 112.067 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.4 ptm -72.0 -38.64 69.6 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.035 -0.666 . . . . 1.0 111.94 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.87 -44.85 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.746 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.29 -23.06 61.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.521 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.59 -48.48 81.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.354 0.597 . . . . 1.0 109.452 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.13 -41.43 94.84 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.147 0.975 . . . . 1.0 109.73 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.8 -5.5 5.79 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 108.293 -1.923 . . . . 1.0 108.293 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.77 151.6 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.656 -0.977 . . . . 1.0 110.656 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -135.11 155.67 50.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.954 0.407 . . . . 1.0 110.752 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.8 127.88 49.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.799 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -88.98 166.51 13.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.493 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.15 13.88 26.13 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 p -151.43 163.43 39.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.788 0.328 . . . . 1.0 110.525 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.598 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -80.75 161.61 24.47 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.518 0.675 . . . . 1.0 112.204 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 11.3 t-20 62.34 -22.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.687 -1.142 . . . . 1.0 112.247 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.598 ' H ' ' C ' ' A' ' 37' ' ' ALA . 32.1 tptt -62.32 -35.88 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.3 -173.72 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.087 -0.96 . . . . 1.0 110.133 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -120.2 -47.63 2.36 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.677 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -118.11 124.21 47.48 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 1.0 110.812 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.58 137.23 32.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.109 . . . . 1.0 110.055 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -91.7 108.78 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.306 0.574 . . . . 1.0 110.812 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -161.9 156.49 22.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.374 -0.83 . . . . 1.0 110.038 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.468 ' CG2' ' OE1' ' A' ' 70' ' ' GLU . 55.2 p -112.24 167.74 10.17 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' VAL . 14.5 mmtt -50.74 -47.72 59.24 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 120.295 -0.562 . . . . 1.0 110.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' LYS . 25.4 mtpp -38.85 -43.51 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.232 0.333 . . . . 1.0 110.35 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -71.3 -43.63 66.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.119 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.721 ' O ' ' SD ' ' A' ' 53' ' ' MET . 5.5 t -67.96 -20.41 25.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.353 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.69 -38.92 87.76 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 120.854 -1.154 . . . . 1.0 108.573 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -71.14 -44.4 65.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.747 -1.115 . . . . 1.0 112.685 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' MET . . . . . 0.721 ' SD ' ' O ' ' A' ' 50' ' ' VAL . 11.4 mmm 52.23 59.17 4.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.9 -0.778 . . . . 1.0 108.9 -176.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.8 m -80.26 -174.06 4.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.596 -1.183 . . . . 1.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -60.45 -37.97 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.986 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.03 -40.17 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.21 -39.95 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.187 0.518 . . . . 1.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.63 -33.6 66.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.91 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -64.36 -45.79 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.55 -46.34 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.194 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.29 -44.27 96.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.653 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.24 2.58 35.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.713 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -105.82 -10.53 16.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.79 0.329 . . . . 1.0 110.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.446 ' CG ' ' H ' ' A' ' 97' ' ' ALA . 3.0 t-20 62.35 59.78 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.743 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.532 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 81.0 t -127.68 126.9 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -65.99 145.21 56.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.437 -0.579 . . . . 1.0 109.437 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -106.57 132.45 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.405 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.54 156.88 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.919 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.25 160.16 18.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.454 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 54.9 mp0 -63.46 -35.62 81.06 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.57 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.79 -12.47 24.53 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.94 -44.35 97.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.225 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.4 -41.0 96.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.324 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -65.15 -39.39 92.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.811 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.555 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 88.9 m-20 -62.33 -50.19 72.6 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.453 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.73 -37.68 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.726 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.0 m -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.073 -0.967 . . . . 1.0 111.122 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.3 -60.02 1.82 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' ASP . 5.8 p -60.42 -43.83 96.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.682 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 49.53 34.11 6.54 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -78.5 -168.78 1.46 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.661 0.743 . . . . 1.0 111.381 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.6 m -63.34 142.05 58.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.596 -1.184 . . . . 1.0 109.674 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mp -63.28 -42.92 99.14 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.469 -0.493 . . . . 1.0 111.355 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -64.99 -40.09 94.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.546 -0.297 . . . . 1.0 111.052 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.509 ' O ' ' OG ' ' A' ' 88' ' ' SER . 83.0 tt0 -63.34 -35.92 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.618 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.85 -40.26 96.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' OG ' ' A' ' 91' ' ' SER . 7.4 mt -63.93 -29.24 70.43 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.469 -0.937 . . . . 1.0 108.469 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.509 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 24.6 p -57.98 -35.67 71.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.822 -1.081 . . . . 1.0 111.098 -176.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.28 -0.06 15.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.275 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' HIS . . . . . 0.555 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 56.4 m-70 -129.94 4.56 4.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.446 0.536 . . . . 1.0 112.446 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 10.7 p -75.57 99.4 4.26 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.518 0.675 . . . . 1.0 110.526 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.09 -11.33 50.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.004 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -148.68 155.51 41.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.839 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.3 p -106.69 -0.69 23.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' TRP . . . . . 0.532 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 6.8 p90 -101.44 168.45 9.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.707 -0.224 . . . . 1.0 110.824 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.88 59.06 0.07 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.36 -0.696 . . . . 1.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.446 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 1.0 111.649 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 53.7 mttm -140.8 44.01 0.61 Allowed Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.084 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 53.8 Cg_endo -67.86 -52.1 0.57 Allowed 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.298 1.999 . . . . 1.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.456 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 3.4 mm? -95.0 -3.98 47.44 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.848 0.314 . . . . 1.0 111.848 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -66.97 -17.53 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -100.54 7.98 43.75 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.086 -0.246 . . . . 1.0 111.419 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 19.4 ptm -150.22 153.13 35.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.336 -0.546 . . . . 1.0 112.092 -178.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -89.23 156.27 18.87 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.495 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mm -132.23 150.03 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.857 0.837 . . . . 1.0 112.936 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 tt -139.3 139.0 37.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.156 -1.384 . . . . 1.0 108.636 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -126.63 127.97 46.04 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.235 0.541 . . . . 1.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.3 125.09 49.36 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.338 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.12 178.59 51.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -75.71 138.8 41.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.153 0.502 . . . . 1.0 111.338 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.586 ' CD2' ' H ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -123.48 172.38 8.77 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.417 -0.81 . . . . 1.0 110.221 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m -58.74 -42.56 89.1 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.328 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -74.36 136.51 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.942 179.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.531 HD21 ' CD ' ' A' ' 21' ' ' GLU . 33.8 m-80 -74.85 -178.47 3.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.371 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -60.56 -51.92 67.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.83 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.61 -10.24 59.76 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.351 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.531 ' CD ' HD21 ' A' ' 18' ' ' ASN . 96.2 mt-10 -100.46 -24.78 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.878 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.68 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 1.0 110.771 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.0 -44.67 96.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.605 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.5 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 1.0 112.02 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -68.88 -39.49 79.78 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.871 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.13 -44.05 99.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.573 -0.451 . . . . 1.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -71.27 -30.28 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.81 -43.86 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.407 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.77 -42.11 99.54 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 122.198 0.999 . . . . 1.0 109.404 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.11 -5.84 3.97 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 107.761 -2.136 . . . . 1.0 107.761 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.56 153.4 28.58 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -130.99 152.05 50.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.338 . . . . 1.0 110.643 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -102.18 113.79 27.36 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.103 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -88.02 163.77 16.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.281 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.68 -17.39 9.83 Favored Glycine 0 N--CA 1.468 0.769 0 N-CA-C 111.323 -0.711 . . . . 1.0 111.323 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -84.2 -137.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.74 -69.91 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.664 0.269 . . . . 1.0 111.168 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 16.2 t-20 -63.62 -27.98 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.687 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.17 -35.0 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.309 -0.556 . . . . 1.0 109.664 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.64 158.19 30.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.037 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 74.7 m -95.27 -71.97 0.65 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 10.9 mp -115.5 121.26 42.16 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.1 t -81.5 140.21 34.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.161 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -95.23 112.72 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.303 0.573 . . . . 1.0 110.015 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.404 ' OG ' ' OE1' ' A' ' 49' ' ' GLU . 29.6 t -157.96 152.21 24.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.888 179.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.8 p -95.25 163.78 13.13 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.85 81.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.473 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.07 -39.54 75.14 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.001 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.404 ' OE1' ' OG ' ' A' ' 45' ' ' SER . 96.6 mt-10 -66.2 -39.87 89.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.99 -43.9 96.09 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.505 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -51.72 -37.1 49.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.872 0.368 . . . . 1.0 111.711 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -63.39 -38.87 92.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.144 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.4 mmt 58.33 57.87 3.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.81 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -76.78 176.03 8.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.62 -40.57 95.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.962 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' H ' ' HD3' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.46 -38.99 91.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.217 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.41 -39.98 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.86 -35.52 76.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.08 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -64.36 -44.6 90.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.125 0.488 . . . . 1.0 109.75 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.421 -0.809 . . . . 1.0 109.497 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.88 -46.06 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.423 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.98 -11.35 60.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.854 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -90.01 -6.63 55.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.733 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 1.9 t-20 60.63 54.7 3.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.541 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.582 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 48.4 t -124.17 125.88 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.804 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -69.33 147.62 50.85 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.635 179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.41 ' H ' ' HB2' ' A' ' 93' ' ' SER . 54.2 t -112.72 131.38 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.387 -0.824 . . . . 1.0 109.619 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 31.5 m -130.97 160.79 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.878 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.74 151.91 33.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.853 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.547 ' CD ' ' H ' ' A' ' 70' ' ' GLU . 3.3 pm0 -63.91 -31.12 72.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.742 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.15 -10.13 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.295 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.431 ' H ' ' C ' ' A' ' 70' ' ' GLU . 32.9 t80 -59.68 -42.62 93.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.824 -0.806 . . . . 1.0 108.824 177.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.81 -41.87 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 1.0 109.133 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.28 -38.17 87.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.086 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.82 -48.7 80.63 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.647 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.35 -37.57 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.078 -0.649 . . . . 1.0 109.569 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 t -60.66 -43.74 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.301 -0.863 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.24 -64.32 1.15 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.061 0.458 . . . . 1.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 t -81.73 166.82 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.05 42.81 1.94 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -71.84 -167.55 0.29 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.513 0.673 . . . . 1.0 111.023 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 m -71.78 143.68 49.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.787 -1.097 . . . . 1.0 110.632 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -63.29 -43.67 97.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.61 -0.723 . . . . 1.0 109.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -65.26 -39.45 92.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.087 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.233 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.91 -42.79 99.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.823 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD1' ' C ' ' A' ' 87' ' ' LEU . 3.7 pp -81.96 -8.05 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.661 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 29.6 t -70.03 -34.51 73.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 1.0 110.8 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.88 -41.01 4.61 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.992 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -65.86 -36.3 83.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 1.0 111.727 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.467 ' HG ' ' H ' ' A' ' 93' ' ' SER . 30.0 t -53.35 125.7 18.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 122.438 1.113 . . . . 1.0 111.321 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.13 -5.19 41.28 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 112.979 -1.919 . . . . 1.0 109.573 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.467 ' H ' ' HG ' ' A' ' 91' ' ' SER . 47.8 m -134.26 150.93 51.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.3 p -102.75 0.42 32.87 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.843 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.582 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 9.2 p90 -103.25 165.6 10.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.549 0.214 . . . . 1.0 110.694 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.65 67.93 0.08 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.444 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 56.98 62.46 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.441 . . . . 1.0 110.427 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.2 -32.12 73.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.823 0.82 . . . . 1.0 110.5 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 m -121.03 129.11 76.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-N 114.017 -1.447 . . . . 1.0 109.865 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -107.77 -22.22 12.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.801 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -145.92 64.61 1.23 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.026 0.441 . . . . 1.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -139.52 138.74 36.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.738 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -100.01 105.81 17.53 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.722 0.296 . . . . 1.0 110.507 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -112.24 -5.86 14.14 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -71.72 166.13 22.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.586 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.158 -0.925 . . . . 1.0 110.545 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.724 -0.472 . . . . 1.0 109.724 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 64.4 mttm 50.25 49.97 8.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.424 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 57.3 Cg_endo -68.63 -38.05 11.42 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 121.849 1.699 . . . . 1.0 112.848 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 83.9 mt -109.96 -9.61 14.76 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -178.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -63.83 -19.78 65.3 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.701 0.63 . . . . 1.0 112.701 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.37 12.74 36.49 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.721 0.296 . . . . 1.0 111.395 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 ptm -151.99 156.37 39.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 1.0 111.704 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.36 150.1 22.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 90.3 mt -118.6 141.3 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.124 0.488 . . . . 1.0 111.71 -177.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -116.29 133.33 56.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.153 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 p -104.72 118.24 36.08 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.91 -42.08 99.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.034 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.68 -91.67 0.09 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -66.99 133.32 49.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.086 0.469 . . . . 1.0 111.255 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 40.5 tp -119.75 133.76 55.49 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.671 -179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 t -61.69 -79.84 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.65 0.611 . . . . 1.0 112.65 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 8.6 pt20 -58.54 179.62 0.08 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.085 0.469 . . . . 1.0 112.003 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.47 151.59 44.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.443 -0.799 . . . . 1.0 111.687 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -62.11 -48.08 81.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.955 -1.02 . . . . 1.0 110.87 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.51 -40.85 98.08 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.04 -0.664 . . . . 1.0 110.766 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -69.12 -38.58 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 1.0 111.106 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 -56.79 10.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.18 -41.46 99.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.385 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.73 79.72 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.644 -0.422 . . . . 1.0 111.387 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.461 ' SD ' ' C ' ' A' ' 25' ' ' MET . 2.2 ppp? -68.73 -40.28 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.312 -0.555 . . . . 1.0 112.038 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.2 -44.24 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.928 0.344 . . . . 1.0 111.928 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.77 -28.51 65.82 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.826 -0.349 . . . . 1.0 111.295 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.52 -44.85 95.36 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.937 0.399 . . . . 1.0 111.056 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.7 mt -64.02 -38.42 91.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.209 1.004 . . . . 1.0 108.893 178.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.15 -1.61 9.04 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 107.211 -2.356 . . . . 1.0 107.211 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.2 152.59 43.72 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -134.37 154.28 51.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.593 0.711 . . . . 1.0 111.674 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.517 ' O ' ' OG1' ' A' ' 34' ' ' THR . 15.9 mt -120.17 113.33 20.29 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.938 -1.028 . . . . 1.0 110.518 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.517 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 m -174.75 154.12 1.89 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.878 0.37 . . . . 1.0 110.878 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.34 15.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.021 -0.536 . . . . 1.0 112.451 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m -82.3 -42.82 18.3 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.424 -0.388 . . . . 1.0 111.526 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.523 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -169.78 152.49 4.55 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.295 0.569 . . . . 1.0 111.136 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 9.6 t-20 56.69 -2.21 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.036 -0.984 . . . . 1.0 112.486 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.523 ' H ' ' C ' ' A' ' 37' ' ' ALA . 97.9 mttt -88.95 -12.08 42.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.311 0.577 . . . . 1.0 109.788 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.15 177.35 4.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.03 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.3 t -109.34 -54.83 2.49 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 9.0 mp -116.36 120.43 38.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.692 -0.685 . . . . 1.0 109.644 178.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.43 138.92 31.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -90.49 111.42 23.44 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-O 121.484 0.659 . . . . 1.0 110.524 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 t -165.94 131.18 2.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.639 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 p -82.97 167.99 17.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.89 -38.89 79.89 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.455 -0.498 . . . . 1.0 109.661 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.72 -43.1 85.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 78.9 mm-40 -65.53 -37.95 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.49 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.0 -43.17 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.421 0.629 . . . . 1.0 110.282 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -55.66 -17.61 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.54 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 73.4 mmtt -62.88 -42.53 99.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.495 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.5 mmt 53.18 45.01 29.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.453 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 t -86.38 178.4 7.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.29 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.457 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -60.48 -41.15 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.029 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -63.59 -39.3 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.541 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -58.59 -32.02 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.1 -43.34 87.54 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.312 -0.555 . . . . 1.0 109.82 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.45 -45.06 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 122.066 0.936 . . . . 1.0 108.476 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.7 -46.88 87.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 113.897 -1.501 . . . . 1.0 111.934 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.35 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 1.0 110.007 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.484 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -87.74 -6.59 58.11 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.0 109.828 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.505 ' OD1' ' NZ ' ' A' ' 100' ' ' LYS . 10.7 m120 56.55 53.88 8.06 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.341 -0.845 . . . . 1.0 111.318 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 65.6 t -124.64 125.46 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.3 ttm-85 -63.09 147.94 49.32 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.529 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.95 130.59 70.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.032 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 m -134.13 160.28 41.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.25 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.2 t -74.64 152.57 39.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.846 -0.798 . . . . 1.0 108.846 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.502 ' C ' ' H ' ' A' ' 72' ' ' PHE . 76.5 tt0 -64.77 -32.71 74.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.46 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.92 -16.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.502 ' H ' ' C ' ' A' ' 70' ' ' GLU . 26.8 t80 -58.3 -39.9 80.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.175 -0.921 . . . . 1.0 109.549 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.72 -42.29 88.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.765 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -69.56 -34.96 74.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.401 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.533 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.2 m-20 -62.61 -49.74 74.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.405 -0.816 . . . . 1.0 112.403 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 m -66.12 -39.44 84.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.694 -0.802 . . . . 1.0 109.93 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.7 m -62.33 -40.95 98.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.83 -67.13 0.86 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.823 0.344 . . . . 1.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 t -60.84 -46.54 90.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.98 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 44.52 42.47 5.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 178.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -85.67 -160.78 0.55 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.553 0.692 . . . . 1.0 110.354 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 m -62.48 142.66 57.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.801 -1.09 . . . . 1.0 109.398 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.22 -44.42 95.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.976 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -62.38 -41.95 99.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.131 -0.941 . . . . 1.0 112.113 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -65.51 -38.18 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.854 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.94 -42.11 97.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.037 0.384 . . . . 1.0 112.037 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.489 ' O ' ' OG ' ' A' ' 91' ' ' SER . 4.2 pp -82.81 -11.58 58.14 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 119.859 -0.737 . . . . 1.0 110.996 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.3 m -62.39 -40.63 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.819 0.342 . . . . 1.0 110.362 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.79 -41.02 6.32 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 35.5 m-70 -65.45 -41.65 93.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.755 -178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.489 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 44.5 m -40.37 110.25 0.14 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.167 0.984 . . . . 1.0 111.91 -178.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.8 mt -91.31 -1.82 57.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 113.65 -1.614 . . . . 1.0 109.101 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.6 p -139.77 163.62 32.13 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.149 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -121.44 36.72 4.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.57 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.3 p90 -139.54 166.28 25.0 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 149.41 58.59 0.01 OUTLIER Glycine 0 N--CA 1.465 0.574 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 74.79 66.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 1.0 111.734 179.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' VAL . 15.6 pt-20 -153.97 161.81 41.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.164 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' GLU . 27.4 m -30.1 133.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 121.854 0.835 . . . . 1.0 111.638 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.505 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 97.0 mttt -111.88 163.53 14.1 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.383 -1.281 . . . . 1.0 110.154 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.473 ' ND1' ' O ' ' A' ' 101' ' ' HIS . 2.7 p80 -70.14 45.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.038 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.498 ' H ' ' C ' ' A' ' 100' ' ' LYS . 35.6 t-80 -73.22 110.55 7.6 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.426 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -165.35 8.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -79.55 139.75 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.865 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -81.07 -19.05 44.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.206 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.736 -1.126 . . . . 1.0 110.635 -179.801 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.7 mtm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 55.78 63.07 6.54 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.052 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.75 -52.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.57 2.18 . . . . 1.0 112.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 89.9 mt -98.99 2.33 46.25 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.983 -178.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -68.36 -31.37 70.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.39 0.515 . . . . 1.0 112.39 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -95.99 10.97 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.154 0.427 . . . . 1.0 112.154 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.1 ptm -150.43 168.94 22.67 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.289 -0.564 . . . . 1.0 112.117 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -99.37 166.61 11.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.505 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.9 mm -137.34 149.55 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.596 -0.729 . . . . 1.0 112.255 -178.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.61 142.84 43.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.975 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -113.71 129.46 56.57 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.774 0.321 . . . . 1.0 110.725 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.3 tp -122.79 130.46 52.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.397 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.01 -142.07 45.81 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.593 -0.603 . . . . 1.0 111.593 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -120.9 155.23 34.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.906 0.384 . . . . 1.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -136.09 -176.14 4.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.244 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 t -59.34 -44.18 92.68 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.455 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' OE2' ' A' ' 70' ' ' GLU . 24.7 mt-30 -64.58 160.62 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.818 -0.808 . . . . 1.0 108.818 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.562 HD21 ' CD ' ' A' ' 21' ' ' GLU . 65.3 m-80 -70.7 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.591 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -171.31 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.176 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.1 -41.31 97.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.562 ' CD ' HD21 ' A' ' 18' ' ' ASN . 21.4 pt-20 -67.35 -41.61 84.9 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.547 -0.751 . . . . 1.0 111.136 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.591 -0.731 . . . . 1.0 109.61 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.07 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.753 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.453 ' SD ' ' C ' ' A' ' 25' ' ' MET . 0.0 OUTLIER -67.07 -40.92 87.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.196 179.558 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.99 -43.8 99.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 1.0 110.366 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -59.19 -43.17 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 34.2 mt -63.08 -40.06 96.54 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.808 0.813 . . . . 1.0 109.61 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.78 -2.62 6.03 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 107.535 -2.226 . . . . 1.0 107.535 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.78 147.99 51.18 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.559 -1.017 . . . . 1.0 110.559 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -122.59 153.5 39.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.985 0.421 . . . . 1.0 110.489 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -97.24 125.08 41.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.768 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.1 m -125.31 132.06 52.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.28 -138.66 0.26 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.2 p 45.91 -126.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.607 -0.349 . . . . 1.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.67 -73.48 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.582 -0.447 . . . . 1.0 111.734 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 21.1 t-20 -59.69 -28.01 66.92 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.89 0.329 . . . . 1.0 111.89 -178.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.36 -35.87 72.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.35 160.3 31.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.412 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.8 p -103.62 -49.64 3.63 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.61 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' C ' ' CD1' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -129.37 120.94 26.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.428 -178.682 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.432 ' N ' HD12 ' A' ' 42' ' ' LEU . 95.9 m -90.1 144.6 25.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 1.0 108.887 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.95 114.45 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.14 0.495 . . . . 1.0 110.12 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -157.25 149.19 22.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.037 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -93.06 166.09 12.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -37.5 83.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.73 -0.841 . . . . 1.0 108.73 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.62 -11.14 6.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 1.0 110.273 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -106.15 -36.2 6.98 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.097 0.475 . . . . 1.0 109.905 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.56 -42.13 89.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.183 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.74 -26.3 65.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.237 0.541 . . . . 1.0 110.394 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.26 -42.9 99.21 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.475 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.6 mmt 54.72 46.88 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.013 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 178.88 4.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.355 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.63 -40.93 96.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.508 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 179.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -60.33 -41.52 93.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.6 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -58.93 -36.28 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.362 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -60.12 -45.12 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.98 -45.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.4 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.82 -44.81 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.873 -0.603 . . . . 1.0 111.327 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.62 -13.51 60.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.531 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -91.75 -1.87 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.9 m120 57.41 56.09 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.197 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.554 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 61.7 t -124.52 122.66 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -68.89 152.33 45.42 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.216 -0.594 . . . . 1.0 109.692 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.48 134.94 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.936 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.8 p -133.38 158.97 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.034 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.63 156.09 37.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.487 0.661 . . . . 1.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 17' ' ' GLN . 85.7 tt0 -61.33 -43.79 98.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.123 -0.944 . . . . 1.0 111.104 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -48.31 -17.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.089 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' N ' ' C ' ' A' ' 70' ' ' GLU . 46.7 t80 -59.23 -42.92 92.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.342 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.76 -42.08 88.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -67.34 -38.78 85.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.32 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' SER . 99.0 m-20 -62.58 -49.57 74.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 1.0 112.071 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 m -66.74 -39.88 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 119.362 -0.935 . . . . 1.0 109.734 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.7 98.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.94 -69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.609 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 75' ' ' ASP . 27.3 m -71.74 141.34 49.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -136.45 68.09 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.885 0.374 . . . . 1.0 110.951 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -112.73 -148.27 0.43 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.884 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.583 ' HG ' ' H ' ' A' ' 85' ' ' GLU . 30.8 t -65.02 129.59 40.26 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.433 0.635 . . . . 1.0 111.579 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.307 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 84' ' ' GLN . 5.8 mp0 -63.26 -41.22 99.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.671 -1.604 . . . . 1.0 111.014 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.583 ' H ' ' HG ' ' A' ' 82' ' ' SER . 79.7 tt0 -66.49 -38.43 87.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.485 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.476 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 78.9 mt -62.98 -44.1 96.98 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.775 -0.37 . . . . 1.0 111.257 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.81 -9.1 58.49 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.425 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.1 t -63.47 -42.95 98.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.079 0.466 . . . . 1.0 110.353 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.4 -43.66 5.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.896 -0.593 . . . . 1.0 112.101 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 16.1 m-70 -58.87 -41.35 86.86 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.929 -0.309 . . . . 1.0 111.313 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -56.4 100.87 0.05 OUTLIER 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.925 0.869 . . . . 1.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.92 -35.18 79.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 114.069 -1.423 . . . . 1.0 108.789 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.0 p -90.66 168.11 12.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.344 0.593 . . . . 1.0 112.097 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -129.22 32.85 4.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.082 -0.963 . . . . 1.0 109.353 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.554 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 8.3 p90 -139.03 165.67 26.52 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.562 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.528 ' O ' ' CB ' ' A' ' 97' ' ' ALA . . . 146.27 67.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.358 0 N-CA-C 109.959 -1.256 . . . . 1.0 109.959 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.528 ' CB ' ' O ' ' A' ' 96' ' ' GLY . . . 102.38 45.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.839 0.856 . . . . 1.0 109.269 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 99' ' ' VAL . 5.5 tp10 -88.61 -167.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.169 -0.923 . . . . 1.0 109.892 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.403 ' H ' ' HG3' ' A' ' 98' ' ' GLU . 18.5 m -66.65 146.7 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.153 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 101' ' ' HIS . 7.0 ptpt -118.48 126.41 51.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.523 . . . . 1.0 111.101 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LYS . 47.1 m80 28.85 45.93 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.277 -0.874 . . . . 1.0 111.736 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.606 ' CD2' ' HD1' ' A' ' 103' ' ' HIS . 75.2 t60 -63.09 -48.42 78.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.627 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.606 ' HD1' ' CD2' ' A' ' 102' ' ' HIS . 20.2 m80 -153.68 159.29 41.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.142 0.496 . . . . 1.0 111.324 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.544 ' CD2' ' CD2' ' A' ' 105' ' ' HIS . 0.5 OUTLIER 57.46 -107.7 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.253 -0.885 . . . . 1.0 112.112 178.655 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.544 ' CD2' ' CD2' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -150.07 167.32 27.13 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.963 0.411 . . . . 1.0 110.899 -178.751 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . 0.428 ' OXT' ' O ' ' A' ' 105' ' ' HIS . 8.5 p80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.934 -1.032 . . . . 1.0 110.333 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' LYS . 67.7 mtt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 27.12 62.97 0.59 Allowed Pre-proline 0 N--CA 1.475 0.795 0 O-C-N 123.858 0.724 . . . . 1.0 111.773 -179.272 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.65 -57.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.729 2.286 . . . . 1.0 114.012 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.88 -3.87 51.01 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.255 0.465 . . . . 1.0 112.255 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -67.56 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.323 0.86 . . . . 1.0 113.323 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 3.2 p30 -107.8 23.42 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.7 ptm -159.69 159.98 33.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.774 -0.77 . . . . 1.0 112.429 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.45 ' O ' ' OG ' ' A' ' 41' ' ' SER . 14.6 mptt -97.72 155.11 17.16 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.485 178.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mm -132.69 135.09 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.1 130.16 56.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.747 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 p -95.94 132.13 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.234 -1.024 . . . . 1.0 108.234 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 13' ' ' GLY . 19.3 tp -107.47 122.46 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.58 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 33.17 -127.66 0.35 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.765 -0.534 . . . . 1.0 111.765 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -82.49 150.12 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.998 0.428 . . . . 1.0 110.906 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.4 ' HG ' ' H ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER -139.9 169.82 17.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.419 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 17' ' ' GLN . 73.2 m -60.12 -42.53 94.97 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.983 0.364 . . . . 1.0 111.983 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.428 ' O ' ' O ' ' A' ' 16' ' ' SER . 35.6 mm-40 -58.38 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.393 0.616 . . . . 1.0 109.733 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.27 -78.24 0.59 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.265 -0.879 . . . . 1.0 109.749 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -179.07 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.342 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -89.05 -21.67 23.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.101 -0.704 . . . . 1.0 109.101 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.33 -10.32 52.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.833 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.44 -61.44 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.851 0.358 . . . . 1.0 110.747 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -40.38 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.39 96.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.235 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -39.86 82.65 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.463 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.72 -43.39 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.738 0.304 . . . . 1.0 111.105 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.71 -31.58 71.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.018 0.437 . . . . 1.0 110.383 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -60.21 -43.93 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.138 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.53 -41.26 98.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 122.544 1.164 . . . . 1.0 109.15 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.62 -2.74 3.8 Favored Glycine 0 C--N 1.317 -0.493 0 N-CA-C 108.093 -2.003 . . . . 1.0 108.093 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.5 157.14 29.72 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -133.51 157.91 44.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.045 0.926 . . . . 1.0 111.676 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.57 129.99 56.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 113.999 -1.455 . . . . 1.0 110.165 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -130.65 158.32 40.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.819 0.343 . . . . 1.0 110.347 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.18 -171.79 48.16 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.45 -0.66 . . . . 1.0 111.45 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.02 -163.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 1.0 110.756 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.572 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -135.78 161.51 35.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.652 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 8.1 t-20 71.51 -25.2 0.17 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' A' ' 37' ' ' ALA . 87.2 tttt -66.06 -34.18 77.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.87 173.33 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.536 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 54.9 p -103.32 -66.22 0.95 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.212 179.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.29 123.2 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.2 t -85.04 143.77 28.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.649 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.64 110.01 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 121.369 0.604 . . . . 1.0 111.116 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -159.04 150.0 20.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.67 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 p -93.95 164.75 12.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -36.77 81.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.781 -0.367 . . . . 1.0 110.118 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.86 -40.25 83.77 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -39.5 93.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.561 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.39 -43.17 98.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.125 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.4 -31.84 46.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.113 0.483 . . . . 1.0 111.593 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.31 -39.2 93.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.586 -0.733 . . . . 1.0 110.952 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.5 mmt 56.75 46.45 19.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.543 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 55' ' ' LYS . 35.9 t -77.79 -171.05 2.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OG ' ' A' ' 54' ' ' SER . 98.7 mttt -61.51 -39.49 91.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.059 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.9 mmtm -60.67 -42.55 97.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.414 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 mmm -61.97 -40.23 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 1.0 110.633 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.58 -38.17 74.4 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.433 -0.507 . . . . 1.0 111.252 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.63 -44.05 78.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.902 -0.719 . . . . 1.0 110.835 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.34 -47.99 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 1.0 110.953 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.25 -43.7 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.987 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.02 -6.95 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.177 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.23 51.6 8.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.39 0.614 . . . . 1.0 110.005 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.565 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.6 t -117.88 125.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.87 156.49 27.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.817 -0.808 . . . . 1.0 108.817 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 70.2 t -117.28 129.25 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.885 0.374 . . . . 1.0 110.548 -178.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.3 t -129.05 133.64 65.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.517 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 4.8 t -71.76 163.29 28.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.05 0.452 . . . . 1.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.62 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 57.0 mp0 -59.81 -40.56 88.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.866 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -42.65 -23.6 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.268 0.556 . . . . 1.0 110.427 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLU . 35.1 t80 -61.14 -41.96 97.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.968 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.1 -40.31 93.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.197 -0.668 . . . . 1.0 109.197 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.562 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.9 m-20 -63.15 -47.81 81.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 1.0 112.547 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.2 m -67.96 -38.9 80.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.768 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -63.34 -41.68 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.544 -0.753 . . . . 1.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.28 -67.95 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.166 0.507 . . . . 1.0 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.461 ' OG ' ' O ' ' A' ' 75' ' ' ASP . 10.3 p -70.01 147.05 50.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.461 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.54 7.55 46.26 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.186 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -50.67 156.28 0.96 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.129 -0.941 . . . . 1.0 112.252 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -71.46 152.12 43.36 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.645 -1.616 . . . . 1.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.84 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.871 -1.059 . . . . 1.0 111.529 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.44 ' O ' ' OG ' ' A' ' 88' ' ' SER . 91.6 mm-40 -60.26 -43.11 96.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.569 -178.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.579 ' OE1' ' N ' ' A' ' 85' ' ' GLU . 42.6 mp0 -67.53 -40.48 85.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.402 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.47 -44.16 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 91' ' ' SER . 3.8 pp -78.29 -22.56 48.05 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.655 -0.418 . . . . 1.0 110.85 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 84' ' ' GLN . 39.3 m -60.89 -42.82 98.72 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.777 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.0 -45.41 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.167 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.562 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 74.3 m-70 -67.08 -38.91 86.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 3.9 p -34.81 108.89 0.07 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.752 0.787 . . . . 1.0 112.299 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 87.6 mt -91.71 -2.44 57.0 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.212 -1.358 . . . . 1.0 109.921 178.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.567 ' OG ' ' CD2' ' A' ' 95' ' ' TRP . 26.8 t -132.88 148.78 52.29 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.301 0.572 . . . . 1.0 112.147 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.9 m -102.98 22.65 13.55 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.61 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.567 ' CD2' ' OG ' ' A' ' 93' ' ' SER . 4.6 p90 -137.03 166.13 24.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.022 0.439 . . . . 1.0 110.937 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.476 ' O ' ' CB ' ' A' ' 97' ' ' ALA . . . 155.98 54.69 0.01 OUTLIER Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.259 -0.736 . . . . 1.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.476 ' CB ' ' O ' ' A' ' 96' ' ' GLY . . . 84.06 42.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.681 0.276 . . . . 1.0 110.665 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -165.35 139.93 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 1.0 111.179 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 102' ' ' HIS . 15.9 m -139.59 52.47 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.07 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.512 ' HD2' ' H ' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -62.12 -47.17 85.76 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.967 0.358 . . . . 1.0 111.967 -179.071 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.512 ' H ' ' HD2' ' A' ' 100' ' ' LYS . 66.0 t-80 -66.77 -42.37 86.22 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.015 0.376 . . . . 1.0 112.015 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 99' ' ' VAL . 97.0 m-70 -104.31 145.29 30.45 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.063 0.458 . . . . 1.0 111.934 -178.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -141.79 -46.52 0.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.702 -0.681 . . . . 1.0 109.993 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.403 ' ND1' ' H ' ' A' ' 104' ' ' HIS . 7.3 p-80 -84.25 165.51 18.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.506 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -112.92 147.98 35.94 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.136 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.934 -1.031 . . . . 1.0 110.774 179.398 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -140.73 64.03 21.49 Favored Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.712 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.439 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 83.1 Cg_endo -79.01 -60.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.276 1.984 . . . . 1.0 112.158 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.439 ' H ' ' HG2' ' A' ' 3' ' ' PRO . 10.8 mp -95.93 1.32 52.81 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.396 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -78.02 -6.92 56.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.312 . . . . 1.0 110.977 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -116.5 19.43 14.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.201 -0.454 . . . . 1.0 112.061 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 ptm -162.08 174.64 12.71 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 119.583 -0.847 . . . . 1.0 112.167 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -102.96 153.82 19.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.234 -0.894 . . . . 1.0 108.851 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mm -129.02 134.64 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.07 0.462 . . . . 1.0 111.867 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 tt -112.13 132.05 55.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.577 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p -103.59 123.33 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.734 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.01 -43.13 99.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.73 -123.69 1.19 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.67 134.58 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 110.24 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.472 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.9 OUTLIER -139.55 -169.83 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.402 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -61.79 -44.55 96.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.782 -0.367 . . . . 1.0 111.815 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' N ' ' OE2' ' A' ' 70' ' ' GLU . 37.0 mt-30 -74.57 139.11 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 1.0 110.142 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.46 HD21 ' CD ' ' A' ' 21' ' ' GLU . 40.2 m-80 -63.53 165.41 8.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.46 0.648 . . . . 1.0 110.512 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.92 -46.69 87.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.053 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.61 -41.56 68.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.214 0.53 . . . . 1.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.46 ' CD ' HD21 ' A' ' 18' ' ' ASN . 97.3 mt-10 -71.15 -45.01 64.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.251 0.834 . . . . 1.0 113.251 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.22 89.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 1.0 110.505 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -62.77 -42.19 99.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.533 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.02 98.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.326 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.428 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.2 tpp -65.73 -46.01 80.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.847 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.99 -44.54 99.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.045 0.45 . . . . 1.0 110.876 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.84 -32.92 70.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.383 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.56 -47.32 85.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.325 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mt -63.66 -40.32 96.54 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.022 0.915 . . . . 1.0 108.602 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.41 -1.11 3.62 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.083 -1.607 . . . . 1.0 109.083 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.08 146.98 47.57 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.218 -0.515 . . . . 1.0 111.885 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -127.55 149.02 50.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.056 -0.572 . . . . 1.0 110.448 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.484 ' O ' ' OG1' ' A' ' 34' ' ' THR . 94.0 mt -103.84 121.54 43.27 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.979 -0.748 . . . . 1.0 108.979 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.484 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 1.3 m 175.61 161.02 0.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' N ' ' CG2' ' A' ' 34' ' ' THR . . . 109.44 133.23 6.66 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.435 -0.666 . . . . 1.0 111.435 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.6 m -61.12 -43.01 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 1.0 110.294 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -170.47 -79.29 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 22.3 t-20 -63.45 -32.11 73.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.981 0.363 . . . . 1.0 111.981 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -51.81 -33.39 35.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.5 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.217 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.8 t -95.5 -68.47 0.8 Allowed 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.819 -0.753 . . . . 1.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' CD2' ' HE ' ' A' ' 66' ' ' ARG . 83.0 mt -125.77 116.83 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.368 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.7 t -77.23 142.32 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.01 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.64 107.94 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.644 0.735 . . . . 1.0 110.263 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -151.72 134.97 15.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.961 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.3 p -87.65 166.56 14.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 1.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 16.4 tppt? -55.46 -41.29 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.737 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -54.76 -43.57 72.85 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.373 0.421 . . . . 1.0 110.509 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.5 -37.48 86.91 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.697 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.86 -23.44 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.922 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -67.31 -36.4 81.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.772 0.796 . . . . 1.0 109.498 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -62.7 -42.62 99.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.186 -1.37 . . . . 1.0 112.867 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.68 44.85 28.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -72.82 175.94 6.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.744 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.97 85.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.144 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -61.49 -40.32 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -61.03 -39.1 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.86 -36.84 82.43 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.101 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.95 -45.01 94.46 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -63.89 -44.44 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.356 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.43 -45.83 92.24 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.09 67.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.74 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.558 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -87.16 -4.74 59.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.773 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 2.2 m120 55.75 55.59 6.95 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.589 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.615 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.5 t -118.84 123.54 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.97 -0.381 . . . . 1.0 109.97 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.472 ' HE ' ' CD2' ' A' ' 42' ' ' LEU . 57.5 ttp180 -59.2 158.11 9.51 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 91' ' ' SER . 50.9 t -114.66 133.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.927 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -122.69 133.33 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.0 t -71.89 154.05 41.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.176 0.512 . . . . 1.0 110.395 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 17' ' ' GLN . 84.7 tt0 -60.78 -34.99 75.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.147 -0.933 . . . . 1.0 111.859 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.77 -15.94 35.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.46 -42.09 95.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.27 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.83 -43.42 90.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.717 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.448 HE21 ' NE2' ' A' ' 17' ' ' GLN . 13.0 mt-30 -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.653 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.547 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 87.7 m-20 -63.21 -48.34 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.53 -42.75 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.721 -0.791 . . . . 1.0 109.797 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 p -64.33 -44.71 90.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.18 -49.02 38.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 1.0 111.052 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -122.14 136.32 54.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.951 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.03 66.83 0.73 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.801 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -92.88 -158.49 0.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.855 0.836 . . . . 1.0 110.662 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.6 m -76.41 139.4 40.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.962 -1.472 . . . . 1.0 110.983 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.9 tp -63.7 -43.02 97.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 1.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -62.23 -40.56 96.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.922 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.502 ' O ' ' OG ' ' A' ' 88' ' ' SER . 51.4 tp10 -66.68 -41.93 87.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.113 -0.635 . . . . 1.0 110.684 -179.483 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.15 -42.01 99.38 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.492 ' O ' ' OG ' ' A' ' 91' ' ' SER . 3.2 pp -80.31 -4.58 53.95 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.083 -0.247 . . . . 1.0 110.831 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.502 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 94.5 p -64.01 -34.62 78.42 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.667 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.25 -37.08 3.11 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.635 0.606 . . . . 1.0 112.635 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.547 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 45.1 m-70 -66.47 -29.37 69.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.752 0.311 . . . . 1.0 111.331 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.669 ' C ' ' H ' ' A' ' 93' ' ' SER . 77.8 p -61.84 -24.56 66.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.926 0.713 . . . . 1.0 112.926 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 93' ' ' SER . 73.2 mt 70.74 -24.65 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.669 ' H ' ' C ' ' A' ' 91' ' ' SER . 26.2 t 52.96 123.22 0.0 OUTLIER 'General case' 0 C--N 1.341 0.212 0 CA-C-N 115.656 -0.702 . . . . 1.0 112.151 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.6 t -166.69 -56.27 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.101 -0.954 . . . . 1.0 110.405 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.615 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 42.9 p90 -151.83 -164.88 2.08 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.1 54.1 0.1 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.273 -0.731 . . . . 1.0 111.273 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 55.1 59.87 3.76 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 59.4 -172.82 0.11 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.441 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.7 m -134.32 162.32 39.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.071 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -60.52 -87.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.754 -0.657 . . . . 1.0 111.821 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -127.71 -1.07 6.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.825 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -71.78 135.88 46.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.173 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 77.5 t60 39.38 90.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.719 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 105' ' ' HIS . 98.3 m-70 -59.67 113.5 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.18 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 104' ' ' HIS . 75.7 m80 27.62 -93.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.692 -0.685 . . . . 1.0 111.774 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 72.6 m80 . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.375 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtp . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.086 0.469 . . . . 1.0 110.172 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 49.51 62.41 12.08 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.235 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.72 -53.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.506 2.137 . . . . 1.0 113.867 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 4.2 mm? -96.34 1.32 51.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.574 0.213 . . . . 1.0 111.574 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 6.5 m -78.56 128.11 33.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.744 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' SER . 12.3 m120 95.22 18.97 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.245 0.966 . . . . 1.0 110.423 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 24.5 ptm -150.85 153.75 35.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.551 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' ' 41' ' ' SER . 12.7 mptt -100.2 160.4 14.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.38 0.61 . . . . 1.0 110.128 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 88.8 mt -129.14 151.56 35.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.409 -178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -136.15 137.45 40.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.763 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.6 p -104.2 115.84 31.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.52 -0.918 . . . . 1.0 108.52 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 42.7 tp -82.47 -77.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 1.0 111.202 -178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.7 -154.2 30.01 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.226 -0.511 . . . . 1.0 111.946 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -56.2 147.59 20.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -0.599 . . . . 1.0 111.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -106.92 127.34 53.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.87 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.0 m -62.33 -43.78 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.488 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' NE2' ' NE2' ' A' ' 74' ' ' GLN . 9.8 mt-30 -68.68 170.08 10.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.419 -0.81 . . . . 1.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 68.7 m-80 -77.01 -147.54 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.176 -0.61 . . . . 1.0 109.426 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.522 ' HZ3' ' HZ1' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -105.42 -58.79 1.85 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.845 0.355 . . . . 1.0 110.543 -179.263 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.86 -36.77 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.098 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.16 -45.84 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.93 -46.26 91.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.868 -0.733 . . . . 1.0 109.696 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.522 ' HZ1' ' HZ3' ' A' ' 19' ' ' LYS . 98.1 mttt -63.11 -43.39 98.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.186 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.63 95.73 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.499 -0.481 . . . . 1.0 110.653 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -42.08 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.532 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.28 -44.38 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.628 -0.429 . . . . 1.0 112.132 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.03 -33.66 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.43 -0.508 . . . . 1.0 112.308 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.26 -43.65 95.97 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.596 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -63.48 -41.88 98.58 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.309 1.052 . . . . 1.0 109.446 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.57 -7.52 4.59 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.94 -2.064 . . . . 1.0 107.94 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 149.0 42.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -132.54 151.52 51.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.862 0.363 . . . . 1.0 110.448 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.18 119.72 39.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.34 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 35' ' ' GLY . 1.8 t 173.87 173.9 0.16 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' N ' ' OG1' ' A' ' 34' ' ' THR . . . 103.41 141.67 11.49 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.147 -0.479 . . . . 1.0 112.355 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -41.71 61.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.107 0.48 . . . . 1.0 110.154 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.78 -80.25 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.345 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 20.0 t-20 -63.68 -28.92 70.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.72 -35.74 68.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.55 161.38 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.59 ' HG ' ' H ' ' A' ' 42' ' ' LEU . 89.2 p -98.37 -61.38 1.39 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 119.992 -0.683 . . . . 1.0 109.772 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.59 ' H ' ' HG ' ' A' ' 41' ' ' SER . 90.5 mt -124.94 116.76 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.008 179.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 44' ' ' ILE . 2.8 t -82.01 154.94 25.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.452 -0.795 . . . . 1.0 110.264 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 46.9 mm -100.36 113.47 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 121.172 0.511 . . . . 1.0 110.577 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.9 m -159.45 159.53 33.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.783 . . . . 1.0 110.277 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -122.57 172.9 8.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.447 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.476 ' C ' ' H ' ' A' ' 49' ' ' GLU . 26.0 mmtt -57.06 -42.21 80.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.188 0.518 . . . . 1.0 109.64 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.93 -9.54 0.13 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.501 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' H ' ' C ' ' A' ' 47' ' ' LYS . 94.6 mt-10 -113.77 -42.89 3.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.149 0.499 . . . . 1.0 110.211 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.41 -42.35 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.711 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.451 ' OE2' ' NZ ' ' A' ' 47' ' ' LYS . 80.8 mm-40 -54.95 -31.48 60.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.718 -177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -65.03 -38.44 90.89 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.78 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.5 mmt 58.26 50.51 9.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.189 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 p -81.26 177.35 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.992 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.51 -37.27 80.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.793 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -59.28 -42.56 91.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.898 179.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.3 -38.67 92.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.368 0.604 . . . . 1.0 109.695 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -38.01 81.74 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.019 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.54 -46.11 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.77 0.319 . . . . 1.0 110.329 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.11 -44.87 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.22 -0.659 . . . . 1.0 109.22 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.99 -45.13 94.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 111.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.64 60.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.0 109.797 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.95 0.15 55.92 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.506 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m120 56.49 54.01 7.98 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.565 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.561 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 72.8 t -124.56 115.82 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.828 0.347 . . . . 1.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -62.84 158.05 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' SER . 47.8 t -116.44 134.49 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.816 0.341 . . . . 1.0 111.372 -177.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -127.18 132.25 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 151.33 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.177 0.513 . . . . 1.0 110.585 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.553 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 59.4 mp0 -46.15 -26.76 0.82 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.871 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.3 -18.86 65.0 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.28 -43.91 96.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.594 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.3 mt -62.03 -43.11 99.53 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.152 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 3.3 mp0 -72.37 -34.79 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.47 -47.68 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.467 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.9 m -68.42 -38.35 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.396 0.617 . . . . 1.0 110.742 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 78' ' ' ALA . 86.1 p -61.24 -40.03 92.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.533 -0.758 . . . . 1.0 110.808 -178.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.449 ' N ' ' HG ' ' A' ' 77' ' ' SER . . . -93.32 -66.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.811 -179.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.478 ' OG ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 t -68.42 -38.37 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.712 -178.057 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 53.56 31.44 12.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 1.0 110.894 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.478 ' CD ' ' OG ' ' A' ' 79' ' ' SER . 47.3 mtpt -68.39 -175.08 0.59 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.963 0.887 . . . . 1.0 112.697 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 150.7 43.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.577 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.79 -41.1 99.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 1.0 110.902 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.14 -41.45 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.879 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.96 -41.92 86.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 1.0 110.97 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.25 -41.92 99.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.268 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' C ' ' CD1' ' A' ' 87' ' ' LEU . 4.0 pp -79.33 -5.13 53.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 1.0 110.564 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 18.6 m -61.49 -40.49 94.75 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 178.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.07 -20.9 5.19 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.814 0.672 . . . . 1.0 112.814 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -87.92 -7.5 57.06 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 93' ' ' SER . 69.5 p -60.2 -30.15 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 1.0 112.194 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 81.8 mt 43.92 13.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.065 0.459 . . . . 1.0 110.774 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.621 ' HG ' ' H ' ' A' ' 95' ' ' TRP . 4.0 t -154.41 171.72 18.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.634 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.426 ' N ' ' OG ' ' A' ' 93' ' ' SER . 19.7 m -134.13 28.99 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.739 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.621 ' H ' ' HG ' ' A' ' 93' ' ' SER . 24.4 p90 -141.4 167.45 22.13 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.04 59.13 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.184 -1.166 . . . . 1.0 110.184 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 98' ' ' GLU . . . 47.65 27.34 1.01 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.758 0.313 . . . . 1.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 97' ' ' ALA . 95.9 mt-10 44.36 -170.63 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.038 0.446 . . . . 1.0 110.975 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.7 t -107.41 92.78 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.524 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -110.74 2.19 18.29 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -62.19 -43.46 98.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -145.41 156.51 43.8 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.575 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . 0.446 ' O ' ' CG ' ' A' ' 103' ' ' HIS . 25.9 t-80 48.97 41.83 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.442 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.454 ' CD2' ' H ' ' A' ' 104' ' ' HIS . 4.2 p80 -57.7 -43.55 85.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.899 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -136.01 142.93 44.53 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.996 0.427 . . . . 1.0 110.724 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 33.7 p80 . . . . . 0 C--O 1.223 -0.335 0 CA-C-O 117.963 -1.017 . . . . 1.0 110.909 -179.756 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.498 ' N ' ' O ' ' A' ' 29' ' ' LEU . 66.5 mtt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.521 ' H ' ' CD ' ' A' ' 3' ' ' PRO . 18.0 tptt -171.55 -39.53 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.521 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 95.2 Cg_endo -89.1 -57.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.998 0 C-N-CA 121.446 1.43 . . . . 1.0 113.804 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 90.4 mt -99.3 -2.63 35.98 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -65.04 -34.8 79.29 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -98.71 13.37 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.513 0.56 . . . . 1.0 112.513 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.51 158.74 44.32 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.302 -0.559 . . . . 1.0 111.942 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -104.23 153.42 21.01 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.2 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 mm -121.41 137.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.739 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -110.25 133.12 53.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -118.37 125.79 50.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.62 -0.263 . . . . 1.0 111.069 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' CD1' ' SG ' ' A' ' 43' ' ' CYS . 9.2 mp -62.25 -42.1 99.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.33 -68.17 0.27 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.93 130.77 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.3 tp -131.72 133.1 44.46 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 -179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -61.26 -44.6 96.97 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.873 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 5.4 mt-30 -57.42 172.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.518 HD21 ' CD ' ' A' ' 21' ' ' GLU . 66.9 m-80 -74.26 -76.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.68 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 -63.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 1.0 109.967 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.68 -38.96 93.07 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.536 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' CD ' HD21 ' A' ' 18' ' ' ASN . 20.8 pt-20 -68.91 -40.99 78.78 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.867 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 21' ' ' GLU . . . -59.44 -50.88 72.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.059 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.58 -43.84 97.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.978 -1.01 . . . . 1.0 111.266 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.54 74.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.877 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 ptm -67.87 -41.18 83.25 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 120.033 -0.667 . . . . 1.0 112.247 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.701 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.62 -30.65 59.59 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.3 -44.81 92.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.981 0.42 . . . . 1.0 110.628 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 1' ' ' MET . 78.0 mt -62.74 -39.78 95.16 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 107.786 -1.191 . . . . 1.0 107.786 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.59 0.91 7.2 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 107.377 -2.289 . . . . 1.0 107.377 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.85 154.32 36.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -139.03 153.29 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.109 -0.33 . . . . 1.0 110.109 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -95.57 125.75 40.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.352 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 119.46 34.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.136 0.493 . . . . 1.0 110.754 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -37.4 85.86 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.765 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 m -64.28 142.41 58.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.556 0.217 . . . . 1.0 110.653 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.518 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -91.69 157.2 17.08 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.364 -0.38 . . . . 1.0 109.996 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 7.6 t-20 72.72 -35.93 0.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.359 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.518 ' H ' ' C ' ' A' ' 37' ' ' ALA . 65.4 tttm -64.78 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.381 0.61 . . . . 1.0 109.48 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.73 176.74 2.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.277 -0.874 . . . . 1.0 110.262 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.7 m -106.84 -68.08 0.91 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.49 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.05 120.94 38.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 1.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 12' ' ' LEU . 5.4 t -80.05 151.87 29.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.723 -1.126 . . . . 1.0 110.069 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 11.7 mm -102.23 108.9 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 8.1 t -158.72 136.21 10.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.771 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -90.6 167.2 12.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.322 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.8 mmtt -56.03 -39.92 72.69 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.161 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 32.5 mtmm -55.96 -42.87 76.89 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.371 -0.932 . . . . 1.0 109.098 -178.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -71.04 -43.55 67.61 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.67 -42.45 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.914 0.387 . . . . 1.0 110.555 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.23 -33.35 63.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 53.6 mttt -64.79 -38.41 90.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.574 0.226 . . . . 1.0 111.177 -179.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.9 mmt 60.51 54.35 3.82 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.769 -0.65 . . . . 1.0 109.97 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -82.66 -176.34 6.22 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.292 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.92 -43.77 94.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.45 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.66 -41.12 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 1.0 110.233 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.148 -0.686 . . . . 1.0 109.148 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -39.19 78.78 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.333 -0.848 . . . . 1.0 109.558 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -65.87 -42.58 90.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.77 -47.98 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.185 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -63.52 -44.36 94.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 1.0 110.62 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.25 -10.84 59.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.971 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.538 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.57 -2.73 53.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.167 -0.309 . . . . 1.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m120 57.68 56.24 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.232 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.541 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 54.0 t -125.24 125.97 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.199 -0.667 . . . . 1.0 109.199 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -64.64 151.46 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.18 131.95 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.165 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.81 157.43 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.511 ' HG ' ' H ' ' A' ' 71' ' ' ASP . 0.8 OUTLIER -79.27 155.38 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 179.758 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.509 ' C ' ' H ' ' A' ' 72' ' ' PHE . 79.7 tt0 -61.11 -34.17 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.857 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.511 ' H ' ' HG ' ' A' ' 69' ' ' CYS . 69.1 m-20 -49.42 -14.25 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 179.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.509 ' H ' ' C ' ' A' ' 70' ' ' GLU . 10.5 t80 -59.89 -41.03 90.7 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 1.0 108.916 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.56 -42.07 91.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.036 -0.727 . . . . 1.0 109.036 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -65.97 -39.11 90.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.194 0.521 . . . . 1.0 110.297 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.567 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.7 m-20 -62.14 -48.61 79.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.461 -0.791 . . . . 1.0 112.504 -178.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.9 m -70.0 -37.87 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.716 0.769 . . . . 1.0 109.673 179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.8 t -62.2 -43.45 98.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.572 -1.195 . . . . 1.0 110.64 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.76 -63.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.018 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -105.92 125.04 50.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.34 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.31 69.21 0.74 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.565 ' HZ2' ' CG ' ' A' ' 85' ' ' GLU . 22.9 pttp -103.04 -153.3 0.47 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.582 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.5 t -63.39 132.36 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.067 0.46 . . . . 1.0 111.443 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.49 -42.8 95.64 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.067 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -58.56 -42.36 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 113.647 -1.615 . . . . 1.0 111.015 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.565 ' CG ' ' HZ2' ' A' ' 81' ' ' LYS . 81.7 tt0 -66.42 -38.87 88.41 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.829 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 93.1 mt -64.52 -44.0 92.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.318 -0.553 . . . . 1.0 111.961 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' O ' ' OG ' ' A' ' 91' ' ' SER . 3.7 pp -80.87 -17.07 51.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.642 -0.423 . . . . 1.0 111.563 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 76.2 p -63.32 -40.31 96.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.336 -0.546 . . . . 1.0 110.638 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.42 -21.96 15.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.765 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.567 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 39.8 m-70 -90.47 -11.43 40.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.004 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.452 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 3.1 p -67.38 94.22 0.38 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.708 0.766 . . . . 1.0 111.013 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.4 ' CD1' ' O ' ' A' ' 45' ' ' SER . 83.0 mt -69.83 -21.48 63.37 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.273 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.8 m -126.46 156.05 41.28 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.283 0.563 . . . . 1.0 111.486 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 p -104.88 24.11 12.41 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.527 -0.76 . . . . 1.0 111.004 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.541 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.5 p90 -132.3 173.39 11.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.673 0.273 . . . . 1.0 110.693 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.77 -7.61 0.16 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.736 -0.745 . . . . 1.0 112.42 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 172.81 30.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 110.482 -0.192 . . . . 1.0 110.482 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -95.32 141.41 28.93 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.079 0.466 . . . . 1.0 111.126 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.21 163.85 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.322 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -140.51 -87.43 0.19 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.659 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.83 -7.93 38.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.319 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.9 m80 58.92 151.91 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.563 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -148.77 90.65 1.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.78 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -100.98 26.24 7.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.939 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 105' ' ' HIS . 2.3 p80 -150.71 163.68 37.96 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.167 0.508 . . . . 1.0 110.909 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.7 p80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.938 -1.029 . . . . 1.0 110.063 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 ttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.136 -0.69 . . . . 1.0 109.136 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.23 59.07 2.09 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 115.467 -0.788 . . . . 1.0 111.748 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.18 -56.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 121.859 1.706 . . . . 1.0 112.38 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -99.26 0.85 43.97 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.775 -0.193 . . . . 1.0 110.898 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 29' ' ' LEU . 6.5 m -79.17 -7.77 58.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.219 0.452 . . . . 1.0 112.219 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -114.85 14.84 17.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.637 0.256 . . . . 1.0 111.254 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 16.7 ptm -152.98 160.89 43.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.063 0.458 . . . . 1.0 111.373 -178.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -100.37 155.67 17.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.31 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 96.0 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 115.883 -0.599 . . . . 1.0 112.538 -177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -120.93 137.61 54.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.189 -0.914 . . . . 1.0 110.395 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -99.68 112.31 24.55 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.0 -43.3 96.07 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 -178.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.6 -94.08 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.54 -0.838 . . . . 1.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.79 131.87 45.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 1.0 110.35 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.73 131.44 53.79 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.271 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -61.73 -46.71 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.605 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.59 170.91 12.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.554 HD22 ' CD ' ' A' ' 21' ' ' GLU . 18.2 p30 -91.89 169.96 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.113 0.482 . . . . 1.0 110.544 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -49.95 -71.8 0.06 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.508 0.929 . . . . 1.0 113.508 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.19 -48.34 79.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.777 1.028 . . . . 1.0 113.777 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.554 ' CD ' HD22 ' A' ' 18' ' ' ASN . 48.9 mt-10 -69.71 -41.69 75.03 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.205 -0.598 . . . . 1.0 112.53 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.2 -49.55 75.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.755 0.788 . . . . 1.0 109.38 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.06 -43.7 97.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.4 -1.273 . . . . 1.0 110.272 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.68 85.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.864 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.0 tpp -62.9 -44.75 95.24 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.009 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.24 -44.71 99.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -70.88 -31.6 68.31 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.672 -0.411 . . . . 1.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -59.66 -45.86 90.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.36 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 5' ' ' SER . 12.7 mt -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.123 0.963 . . . . 1.0 109.147 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.27 -3.64 4.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.237 -1.945 . . . . 1.0 108.237 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.98 151.64 41.38 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -132.47 150.95 52.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.681 0.276 . . . . 1.0 110.46 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.472 ' O ' ' OG1' ' A' ' 34' ' ' THR . 90.0 mt -101.38 107.08 18.32 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 3.5 m -170.27 164.07 8.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.151 0.501 . . . . 1.0 111.276 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.2 128.3 6.34 Favored Glycine 0 CA--C 1.522 0.501 0 CA-C-N 115.397 -0.82 . . . . 1.0 111.186 178.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.2 p -68.06 -38.35 82.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.471 0.177 . . . . 1.0 111.073 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.37 -89.33 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 120.908 -0.317 . . . . 1.0 111.367 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.34 -31.02 72.05 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -52.37 -35.34 51.13 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.247 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 174.28 7.03 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.109 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t -100.88 -76.92 0.55 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.214 0.531 . . . . 1.0 109.911 -179.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 8.6 mp -116.23 123.58 48.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.353 179.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 t -82.63 143.71 30.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.785 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mm -91.85 109.55 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.166 0.508 . . . . 1.0 110.148 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -154.0 139.96 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.655 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.5 p -84.01 168.97 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -61.85 -37.48 84.64 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -58.94 -41.1 86.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.461 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -65.8 -41.0 92.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 1.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.66 -42.15 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.773 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -53.73 -29.51 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 1.0 111.431 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.788 -0.642 . . . . 1.0 111.819 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.7 mmt 57.29 47.3 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.381 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -74.96 174.87 8.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.135 -0.939 . . . . 1.0 110.887 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -59.82 -37.88 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.636 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -63.1 -40.73 98.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.869 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -61.73 -40.17 94.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.984 0.421 . . . . 1.0 110.744 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.44 -31.84 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.622 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 19.8 mt-10 -66.2 -45.49 80.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.706 -179.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.4 -46.35 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.523 . . . . 1.0 109.726 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -63.97 -44.5 92.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.588 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.48 -11.26 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.221 0.534 . . . . 1.0 110.563 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -95.05 0.51 54.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.179 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.5 m120 57.91 57.03 4.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.205 0.526 . . . . 1.0 110.679 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 67.3 t -124.13 116.39 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.503 -0.771 . . . . 1.0 109.732 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.1 ttp180 -65.9 157.02 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.22 132.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.4 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 13.7 p -122.8 134.27 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.781 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.54 159.96 27.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.27 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.409 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 57.7 mp0 -63.4 -33.93 76.62 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.211 0.449 . . . . 1.0 112.211 -178.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -59.11 -15.88 16.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.107 -0.637 . . . . 1.0 109.332 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -61.04 -41.91 97.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.403 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.77 -42.44 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.222 -0.899 . . . . 1.0 110.396 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -67.27 -40.05 86.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.423 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 95.2 m-20 -63.06 -47.99 80.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.99 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.74 -37.6 77.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.74 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.8 p -62.62 -38.31 89.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.864 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.26 -64.83 1.1 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.608 0.595 . . . . 1.0 112.608 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.424 ' H ' ' HG ' ' A' ' 79' ' ' SER . 2.6 m -61.13 -41.61 97.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.864 -0.607 . . . . 1.0 112.258 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 50.78 42.07 27.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.036 0.384 . . . . 1.0 112.036 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -79.71 -168.35 1.55 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.82 0.819 . . . . 1.0 111.389 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.5 m -73.41 144.03 46.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.113 -1.403 . . . . 1.0 109.668 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mp -63.22 -42.52 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.369 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -60.67 -44.89 95.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.772 -0.371 . . . . 1.0 111.505 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -67.3 -37.79 83.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.339 0.59 . . . . 1.0 109.646 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 41.2 mt -63.52 -42.87 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.575 -0.739 . . . . 1.0 112.314 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.37 -11.07 58.8 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.099 -0.64 . . . . 1.0 110.432 -179.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -62.67 -41.52 99.12 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.456 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.98 -28.24 9.69 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.606 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 35.1 m-70 -80.28 -21.71 42.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.676 -0.41 . . . . 1.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 93' ' ' SER . 27.2 t -61.95 122.54 15.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.053 0.93 . . . . 1.0 110.033 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 mt -98.64 2.84 47.63 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 113.664 -1.607 . . . . 1.0 110.363 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 91' ' ' SER . 27.3 p -148.76 160.88 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.441 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -116.7 38.72 3.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.92 0.39 . . . . 1.0 111.346 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.559 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.8 p90 -142.08 163.31 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.791 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.409 ' O ' ' CB ' ' A' ' 97' ' ' ALA . . . 149.2 54.71 0.02 OUTLIER Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' O ' ' O ' ' A' ' 98' ' ' GLU . . . 78.41 68.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 1.0 110.332 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 97' ' ' ALA . 73.7 mm-40 53.67 165.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.364 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.6 127.49 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.974 0.416 . . . . 1.0 110.541 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -106.87 -46.0 4.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.685 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 52.2 t-80 -78.41 48.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.323 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -53.31 111.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.169 0.509 . . . . 1.0 110.756 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -150.32 2.1 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.182 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.504 ' HD1' ' C ' ' A' ' 104' ' ' HIS . 0.4 OUTLIER -59.69 -46.38 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.454 -179.458 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -113.01 138.33 50.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.412 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.0 p80 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.335 -0.841 . . . . 1.0 110.321 179.885 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.454 -0.572 . . . . 1.0 109.454 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.2 mttm 48.93 62.29 12.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.755 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.11 -51.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.431 2.088 . . . . 1.0 112.713 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.2 mt -104.35 3.21 32.17 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 1.0 112.269 -178.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -70.98 -17.26 62.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.54 -0.464 . . . . 1.0 111.707 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -104.74 3.92 31.85 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 121.05 -0.26 . . . . 1.0 111.651 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.0 ptm -147.72 166.39 27.61 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.788 -0.765 . . . . 1.0 112.421 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' O ' ' OG ' ' A' ' 41' ' ' SER . 13.9 mptt -101.39 175.45 5.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 114.809 -1.087 . . . . 1.0 108.553 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.6 mm -140.75 152.06 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.49 140.66 50.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.922 0.392 . . . . 1.0 110.742 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -109.61 104.55 13.59 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.594 -0.891 . . . . 1.0 108.594 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 39.0 tp -63.27 -42.66 99.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.688 -179.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' LYS . . . 169.04 158.71 13.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.264 -0.735 . . . . 1.0 111.264 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 13' ' ' GLY . 59.9 tttm 56.17 152.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 1.0 111.065 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.7 tp -167.49 127.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.494 -0.483 . . . . 1.0 110.456 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 t -65.02 -43.32 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 1.0 110.636 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.634 ' NE2' ' NE2' ' A' ' 74' ' ' GLN . 48.5 mt-30 -67.77 150.29 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.407 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -73.58 160.3 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 19.4 ptmt -56.89 -47.07 81.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.629 -0.829 . . . . 1.0 111.079 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.411 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 46.6 t0 -65.06 -47.81 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.42 -43.82 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.217 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.78 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.26 0.552 . . . . 1.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' CB ' ' NZ ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.18 -43.0 99.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.231 -178.08 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 23' ' ' LYS . . . -60.17 -49.8 76.21 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.432 -0.507 . . . . 1.0 111.176 -179.13 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 ptm -66.51 -39.62 88.76 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.973 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.91 -44.22 99.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.829 -0.349 . . . . 1.0 111.916 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.79 -23.89 52.87 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.14 -45.93 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.193 0.521 . . . . 1.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.81 -40.29 96.29 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 122.38 1.086 . . . . 1.0 109.282 179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.08 -1.57 5.82 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 107.548 -2.221 . . . . 1.0 107.548 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 152.52 32.59 Favored Glycine 0 C--N 1.34 0.765 0 N-CA-C 110.238 -1.145 . . . . 1.0 110.238 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -141.16 150.44 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.644 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -97.23 138.3 34.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.9 t -135.49 161.17 36.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.446 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -87.18 -133.94 3.98 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.4 t 38.43 -146.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.01 -66.37 0.38 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.026 -0.27 . . . . 1.0 110.301 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -62.58 -25.6 68.16 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.423 0.527 . . . . 1.0 112.423 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -58.66 -36.26 73.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.48 167.97 20.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.722 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 30.0 p -102.1 -69.63 0.78 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.312 0.577 . . . . 1.0 109.551 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.89 119.45 37.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.756 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.0 t -84.16 138.44 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.016 -0.993 . . . . 1.0 110.599 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.69 111.84 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.533 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -164.62 147.74 8.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.652 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 p -90.48 164.73 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -39.9 89.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.56 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.82 -43.93 77.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.56 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -62.74 -40.39 97.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.378 0.609 . . . . 1.0 109.85 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.42 -43.28 96.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.317 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -56.98 -19.21 16.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.782 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -63.49 -40.75 97.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.8 mmt 52.45 48.0 23.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.116 -0.947 . . . . 1.0 110.112 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -85.41 179.88 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.13 -41.57 92.97 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.254 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.46 -42.87 92.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -39.17 92.14 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.525 -0.546 . . . . 1.0 109.525 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -36.82 76.35 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.997 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -63.86 -42.12 97.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.206 0.527 . . . . 1.0 109.874 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.6 -44.62 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.576 -0.898 . . . . 1.0 108.576 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.2 -48.31 80.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.624 -1.171 . . . . 1.0 112.098 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.95 60.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.082 0.468 . . . . 1.0 110.617 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.83 -2.01 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.467 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 7.1 m120 58.17 55.45 5.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.96 179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.578 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 79.7 t -122.48 124.42 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -70.82 156.51 39.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' SER . 41.6 t -108.64 131.44 59.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.53 140.32 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.296 0.57 . . . . 1.0 111.309 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.1 p -67.78 153.73 43.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.464 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -65.51 -33.59 76.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.898 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.27 -14.12 10.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.415 ' CD1' ' C ' ' A' ' 72' ' ' PHE . 42.7 t80 -59.66 -42.53 93.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.462 -0.79 . . . . 1.0 111.112 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.31 -42.18 90.77 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.032 -0.729 . . . . 1.0 109.032 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.634 ' NE2' ' NE2' ' A' ' 17' ' ' GLN . 2.4 mp0 -72.26 -33.73 67.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 1.0 111.28 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 79' ' ' SER . 92.6 m-20 -64.36 -47.62 78.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.415 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 28.7 m -66.75 -39.27 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.569 -0.853 . . . . 1.0 109.511 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.604 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.79 -67.18 0.87 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.253 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.8 m -64.57 143.21 58.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.257 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.82 27.5 8.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.583 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -72.46 -164.01 0.14 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.827 0.822 . . . . 1.0 110.65 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -77.77 145.07 36.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.979 -1.464 . . . . 1.0 110.519 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.4 -43.53 97.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.194 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -66.2 -40.97 90.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.947 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.83 -32.88 74.65 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.899 0.38 . . . . 1.0 110.82 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.47 -39.76 94.47 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.744 -0.382 . . . . 1.0 110.267 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 91' ' ' SER . 10.8 mt -62.94 -26.0 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.331 0.586 . . . . 1.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 m -51.01 -38.69 52.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.168 -0.923 . . . . 1.0 110.806 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.06 10.8 17.53 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.229 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.423 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 46.1 m-70 -131.75 -4.42 3.65 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.998 -0.281 . . . . 1.0 111.738 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.621 ' C ' ' H ' ' A' ' 93' ' ' SER . 67.8 m -59.17 -40.17 84.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.404 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.7 mt 46.21 4.56 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.528 -0.305 . . . . 1.0 111.604 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.621 ' H ' ' C ' ' A' ' 91' ' ' SER . 12.1 t -155.06 161.25 41.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.62 -0.264 . . . . 1.0 110.694 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -114.32 8.93 16.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.578 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 29.3 p90 -123.25 171.0 9.7 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.04 0.447 . . . . 1.0 111.218 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.483 ' O ' ' CB ' ' A' ' 97' ' ' ALA . . . 143.21 64.7 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.389 -1.084 . . . . 1.0 110.389 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.483 ' CB ' ' O ' ' A' ' 96' ' ' GLY . . . 86.19 19.05 0.1 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.332 0.587 . . . . 1.0 110.174 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -123.26 144.04 49.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.268 -0.878 . . . . 1.0 109.731 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 m -122.86 128.57 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.722 0.772 . . . . 1.0 110.268 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -103.66 -10.24 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.978 -1.01 . . . . 1.0 111.459 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -163.07 -71.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.626 -0.43 . . . . 1.0 110.992 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -158.41 -179.64 8.28 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.521 -0.472 . . . . 1.0 111.936 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -103.16 -17.82 15.2 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.097 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -156.28 151.07 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.531 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -43.73 87.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.087 0.47 . . . . 1.0 110.731 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.2 m170 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.923 -179.132 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.117 -0.698 . . . . 1.0 109.117 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt 48.15 64.9 7.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.288 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.59 -54.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.684 2.256 . . . . 1.0 112.129 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 96.7 mt -103.01 -2.19 28.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 86.3 p -84.1 90.46 7.47 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.665 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 5' ' ' SER . 10.4 p30 147.85 -6.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.386 1.054 . . . . 1.0 109.021 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 ptm -134.27 151.16 51.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.909 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -93.51 155.1 17.52 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 91.3 mt -128.5 153.81 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.569 0.952 . . . . 1.0 113.569 -176.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 tt -133.73 150.42 51.49 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.312 -1.313 . . . . 1.0 110.28 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -133.41 144.13 49.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -116.6 124.04 48.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.164 0.507 . . . . 1.0 112.025 -177.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.64 -130.53 45.96 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.516 -0.766 . . . . 1.0 113.808 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -60.6 137.32 58.19 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.372 -0.914 . . . . 1.0 113.226 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.6 tp -124.45 128.59 49.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.604 -1.18 . . . . 1.0 109.468 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -61.48 -43.62 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.132 0.492 . . . . 1.0 110.339 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -73.0 148.75 43.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.806 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -78.99 -161.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.671 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.73 -71.44 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.606 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.65 -43.61 97.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.998 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -38.69 92.03 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.836 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 -65.59 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.876 -0.73 . . . . 1.0 111.464 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.17 -40.32 85.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.468 0.544 . . . . 1.0 112.468 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.53 95.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.833 -0.747 . . . . 1.0 112.067 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.4 ptm -72.0 -38.64 69.6 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.035 -0.666 . . . . 1.0 111.94 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.87 -44.85 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.746 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.29 -23.06 61.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.521 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.59 -48.48 81.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.354 0.597 . . . . 1.0 109.452 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.0 mt -65.13 -41.43 94.84 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.147 0.975 . . . . 1.0 109.73 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.8 -5.5 5.79 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 108.293 -1.923 . . . . 1.0 108.293 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.77 151.6 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.656 -0.977 . . . . 1.0 110.656 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -135.11 155.67 50.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.954 0.407 . . . . 1.0 110.752 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.8 127.88 49.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.799 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -88.98 166.51 13.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.493 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.15 13.88 26.13 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 p -151.43 163.43 39.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.788 0.328 . . . . 1.0 110.525 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.598 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -80.75 161.61 24.47 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.518 0.675 . . . . 1.0 112.204 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 11.3 t-20 62.34 -22.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.687 -1.142 . . . . 1.0 112.247 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.598 ' H ' ' C ' ' A' ' 37' ' ' ALA . 32.1 tptt -62.32 -35.88 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.3 -173.72 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.087 -0.96 . . . . 1.0 110.133 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -120.2 -47.63 2.36 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.677 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.0 mp -118.11 124.21 47.48 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 1.0 110.812 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.58 137.23 32.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.109 . . . . 1.0 110.055 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -91.7 108.78 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.306 0.574 . . . . 1.0 110.812 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -161.9 156.49 22.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.374 -0.83 . . . . 1.0 110.038 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.468 ' CG2' ' OE1' ' A' ' 70' ' ' GLU . 55.2 p -112.24 167.74 10.17 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' VAL . 14.5 mmtt -50.74 -47.72 59.24 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 120.295 -0.562 . . . . 1.0 110.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' LYS . 25.4 mtpp -38.85 -43.51 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.232 0.333 . . . . 1.0 110.35 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -71.3 -43.63 66.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.119 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.721 ' O ' ' SD ' ' A' ' 53' ' ' MET . 5.5 t -67.96 -20.41 25.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.353 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.69 -38.92 87.76 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 120.854 -1.154 . . . . 1.0 108.573 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -71.14 -44.4 65.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.747 -1.115 . . . . 1.0 112.685 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' MET . . . . . 0.721 ' SD ' ' O ' ' A' ' 50' ' ' VAL . 11.4 mmm 52.23 59.17 4.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.9 -0.778 . . . . 1.0 108.9 -176.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.8 m -80.26 -174.06 4.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.596 -1.183 . . . . 1.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -60.45 -37.97 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.986 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -61.03 -40.17 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.21 -39.95 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.187 0.518 . . . . 1.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.63 -33.6 66.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.91 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -64.36 -45.79 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.55 -46.34 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.194 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.29 -44.27 96.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.653 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.24 2.58 35.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.713 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -105.82 -10.53 16.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.79 0.329 . . . . 1.0 110.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.446 ' CG ' ' H ' ' A' ' 97' ' ' ALA . 3.0 t-20 62.35 59.78 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.743 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.532 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 81.0 t -127.68 126.9 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 46.7 ttp180 -65.99 145.21 56.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.437 -0.579 . . . . 1.0 109.437 179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -106.57 132.45 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.405 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 26.9 m -130.54 156.88 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.919 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.25 160.16 18.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.454 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.473 ' OE1' ' N ' ' A' ' 70' ' ' GLU . 54.9 mp0 -63.46 -35.62 81.06 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.57 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.79 -12.47 24.53 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.94 -44.35 97.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.225 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 94.7 mt -61.4 -41.0 96.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.324 -179.587 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -65.15 -39.39 92.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.811 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.555 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 88.9 m-20 -62.33 -50.19 72.6 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.453 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.73 -37.68 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.726 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.0 m -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.073 -0.967 . . . . 1.0 111.122 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.3 -60.02 1.82 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' ASP . 5.8 p -60.42 -43.83 96.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.682 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 49.53 34.11 6.54 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -78.5 -168.78 1.46 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.661 0.743 . . . . 1.0 111.381 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.6 m -63.34 142.05 58.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.596 -1.184 . . . . 1.0 109.674 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 4.5 mp -63.28 -42.92 99.14 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.469 -0.493 . . . . 1.0 111.355 -179.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -64.99 -40.09 94.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.546 -0.297 . . . . 1.0 111.052 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.509 ' O ' ' OG ' ' A' ' 88' ' ' SER . 83.0 tt0 -63.34 -35.92 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.618 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.85 -40.26 96.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' O ' ' OG ' ' A' ' 91' ' ' SER . 7.4 mt -63.93 -29.24 70.43 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.469 -0.937 . . . . 1.0 108.469 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.509 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 24.6 p -57.98 -35.67 71.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.822 -1.081 . . . . 1.0 111.098 -176.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.28 -0.06 15.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.275 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.555 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 56.4 m-70 -129.94 4.56 4.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.446 0.536 . . . . 1.0 112.446 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . 0.456 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 10.7 p -75.57 99.4 4.26 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.518 0.675 . . . . 1.0 110.526 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.09 -11.33 50.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.004 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -148.68 155.51 41.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.839 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.3 p -106.69 -0.69 23.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TRP . . . . . 0.532 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 6.8 p90 -101.44 168.45 9.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.707 -0.224 . . . . 1.0 110.824 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.88 59.06 0.07 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.36 -0.696 . . . . 1.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 44.69 56.88 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 1.0 111.649 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -51.76 150.77 3.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.826 -0.435 . . . . 1.0 109.826 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 m -54.34 88.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 113.464 0.913 . . . . 1.0 113.464 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -129.5 -3.49 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.593 -0.731 . . . . 1.0 109.907 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -65.9 -50.38 64.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.476 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . 0.512 ' CD2' ' N ' ' A' ' 102' ' ' HIS . 0.2 OUTLIER 170.34 163.05 0.07 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.334 0.396 . . . . 1.0 110.447 -179.488 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -82.16 -46.14 14.18 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -163.64 157.71 19.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.378 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -80.49 140.29 35.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 1.0 110.357 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.834 -179.222 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 53.7 mttm . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 120.371 0.129 . . . . 1.0 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 53.8 Cg_endo -67.86 -52.1 0.57 Allowed 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.298 1.999 . . . . 1.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.4 mm? -95.0 -3.98 47.44 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.848 0.314 . . . . 1.0 111.848 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -66.97 -17.53 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -100.54 7.98 43.75 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.086 -0.246 . . . . 1.0 111.419 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.411 ' HE3' HD13 ' A' ' 42' ' ' LEU . 19.4 ptm -150.22 153.13 35.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.336 -0.546 . . . . 1.0 112.092 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -89.23 156.27 18.87 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.495 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mm -132.23 150.03 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.857 0.837 . . . . 1.0 112.936 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 tt -139.3 139.0 37.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.156 -1.384 . . . . 1.0 108.636 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -126.63 127.97 46.04 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.235 0.541 . . . . 1.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.3 125.09 49.36 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.338 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.12 178.59 51.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -75.71 138.8 41.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.153 0.502 . . . . 1.0 111.338 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -123.48 172.38 8.77 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.417 -0.81 . . . . 1.0 110.221 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m -58.74 -42.56 89.1 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.328 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.5 mp0 -74.36 136.51 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.942 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -74.85 -178.47 3.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.371 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -60.56 -51.92 67.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.83 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.61 -10.24 59.76 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.351 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -100.46 -24.78 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.878 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.68 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 1.0 110.771 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.0 -44.67 96.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.605 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.5 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 1.0 112.02 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -68.88 -39.49 79.78 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.871 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.13 -44.05 99.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.573 -0.451 . . . . 1.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -71.27 -30.28 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.81 -43.86 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.407 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.77 -42.11 99.54 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 122.198 0.999 . . . . 1.0 109.404 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.11 -5.84 3.97 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 107.761 -2.136 . . . . 1.0 107.761 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.56 153.4 28.58 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -130.99 152.05 50.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.338 . . . . 1.0 110.643 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -102.18 113.79 27.36 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.103 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -88.02 163.77 16.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.281 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.68 -17.39 9.83 Favored Glycine 0 N--CA 1.468 0.769 0 N-CA-C 111.323 -0.711 . . . . 1.0 111.323 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -84.2 -137.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.74 -69.91 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.664 0.269 . . . . 1.0 111.168 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 16.2 t-20 -63.62 -27.98 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.687 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.17 -35.0 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.309 -0.556 . . . . 1.0 109.664 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.64 158.19 30.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.037 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.554 ' C ' HD12 ' A' ' 42' ' ' LEU . 74.7 m -95.27 -71.97 0.65 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.677 HD23 HG11 ' A' ' 68' ' ' VAL . 10.9 mp -115.5 121.26 42.16 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.1 t -81.5 140.21 34.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.161 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -95.23 112.72 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.303 0.573 . . . . 1.0 110.015 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -157.96 152.21 24.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.888 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.8 p -95.25 163.78 13.13 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.85 81.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.473 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.07 -39.54 75.14 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.001 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.2 -39.87 89.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.99 -43.9 96.09 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.505 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -51.72 -37.1 49.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.872 0.368 . . . . 1.0 111.711 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -63.39 -38.87 92.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.144 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.4 mmt 58.33 57.87 3.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.81 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -76.78 176.03 8.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.62 -40.57 95.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.962 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HD3' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.46 -38.99 91.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.217 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.41 -39.98 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.86 -35.52 76.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.08 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -64.36 -44.6 90.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.125 0.488 . . . . 1.0 109.75 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.421 -0.809 . . . . 1.0 109.497 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.88 -46.06 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.423 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.98 -11.35 60.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.854 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -90.01 -6.63 55.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.733 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 1.9 t-20 60.63 54.7 3.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.541 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.582 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 48.4 t -124.17 125.88 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.804 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NH1' HD13 ' A' ' 87' ' ' LEU . 43.7 ttm180 -69.33 147.62 50.85 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.635 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.485 ' H ' ' HB2' ' A' ' 93' ' ' SER . 54.2 t -112.72 131.38 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.387 -0.824 . . . . 1.0 109.619 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.677 HG11 HD23 ' A' ' 42' ' ' LEU . 31.5 m -130.97 160.79 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.878 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.74 151.91 33.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.853 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.634 ' CD ' ' H ' ' A' ' 70' ' ' GLU . 3.3 pm0 -63.91 -31.12 72.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.742 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.15 -10.13 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.295 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 70' ' ' GLU . 32.9 t80 -59.68 -42.62 93.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.824 -0.806 . . . . 1.0 108.824 177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.81 -41.87 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 1.0 109.133 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.28 -38.17 87.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.086 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.82 -48.7 80.63 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.647 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.35 -37.57 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.078 -0.649 . . . . 1.0 109.569 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 t -60.66 -43.74 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.301 -0.863 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.24 -64.32 1.15 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.061 0.458 . . . . 1.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 t -81.73 166.82 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.05 42.81 1.94 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -71.84 -167.55 0.29 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.513 0.673 . . . . 1.0 111.023 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 m -71.78 143.68 49.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.787 -1.097 . . . . 1.0 110.632 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -63.29 -43.67 97.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.61 -0.723 . . . . 1.0 109.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -65.26 -39.45 92.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.087 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.233 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.91 -42.79 99.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.823 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.716 ' C ' HD12 ' A' ' 87' ' ' LEU . 3.7 pp -81.96 -8.05 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.661 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.511 ' N ' HD12 ' A' ' 87' ' ' LEU . 29.6 t -70.03 -34.51 73.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 1.0 110.8 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.88 -41.01 4.61 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.992 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -65.86 -36.3 83.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 1.0 111.727 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 93' ' ' SER . 30.0 t -53.35 125.7 18.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 122.438 1.113 . . . . 1.0 111.321 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.13 -5.19 41.28 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 112.979 -1.919 . . . . 1.0 109.573 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.485 ' HB2' ' H ' ' A' ' 67' ' ' VAL . 47.8 m -134.26 150.93 51.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.3 p -102.75 0.42 32.87 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.843 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.582 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 9.2 p90 -103.25 165.6 10.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.549 0.214 . . . . 1.0 110.694 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.65 67.93 0.08 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.428 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.441 . . . . 1.0 110.427 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 64.4 mttm . . . . . 0 CA--C 1.528 0.111 0 N-CA-C 110.424 -0.214 . . . . 1.0 110.424 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 57.3 Cg_endo -68.63 -38.05 11.42 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 121.849 1.699 . . . . 1.0 112.848 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.864 HD12 HD12 ' A' ' 29' ' ' LEU . 83.9 mt -109.96 -9.61 14.76 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -63.83 -19.78 65.3 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.701 0.63 . . . . 1.0 112.701 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -100.37 12.74 36.49 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.721 0.296 . . . . 1.0 111.395 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 ptm -151.99 156.37 39.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 1.0 111.704 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.36 150.1 22.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.57 HD11 HD13 ' A' ' 4' ' ' LEU . 90.3 mt -118.6 141.3 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.124 0.488 . . . . 1.0 111.71 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -116.29 133.33 56.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.153 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 p -104.72 118.24 36.08 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.91 -42.08 99.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.034 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.68 -91.67 0.09 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -66.99 133.32 49.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.086 0.469 . . . . 1.0 111.255 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD11 ' CD ' ' A' ' 70' ' ' GLU . 40.5 tp -119.75 133.76 55.49 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.671 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 t -61.69 -79.84 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.65 0.611 . . . . 1.0 112.65 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -58.54 179.62 0.08 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.085 0.469 . . . . 1.0 112.003 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -70.47 151.59 44.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.443 -0.799 . . . . 1.0 111.687 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -62.11 -48.08 81.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.955 -1.02 . . . . 1.0 110.87 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.51 -40.85 98.08 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.04 -0.664 . . . . 1.0 110.766 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -69.12 -38.58 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 1.0 111.106 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 -56.79 10.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.18 -41.46 99.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.385 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.73 79.72 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.644 -0.422 . . . . 1.0 111.387 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 25' ' ' MET . 2.2 ppp? -68.73 -40.28 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.312 -0.555 . . . . 1.0 112.038 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.2 -44.24 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.928 0.344 . . . . 1.0 111.928 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.77 -28.51 65.82 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.826 -0.349 . . . . 1.0 111.295 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.52 -44.85 95.36 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.937 0.399 . . . . 1.0 111.056 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.864 HD12 HD12 ' A' ' 4' ' ' LEU . 51.7 mt -64.02 -38.42 91.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.209 1.004 . . . . 1.0 108.893 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.15 -1.61 9.04 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 107.211 -2.356 . . . . 1.0 107.211 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.2 152.59 43.72 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -134.37 154.28 51.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.593 0.711 . . . . 1.0 111.674 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' OG1' ' A' ' 34' ' ' THR . 15.9 mt -120.17 113.33 20.29 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.938 -1.028 . . . . 1.0 110.518 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 m -174.75 154.12 1.89 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.878 0.37 . . . . 1.0 110.878 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.34 15.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.021 -0.536 . . . . 1.0 112.451 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m -82.3 -42.82 18.3 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.424 -0.388 . . . . 1.0 111.526 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' ' 63' ' ' ALA . . . -169.78 152.49 4.55 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.295 0.569 . . . . 1.0 111.136 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 9.6 t-20 56.69 -2.21 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.036 -0.984 . . . . 1.0 112.486 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 37' ' ' ALA . 97.9 mttt -88.95 -12.08 42.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.311 0.577 . . . . 1.0 109.788 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.15 177.35 4.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.03 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.52 ' C ' HD12 ' A' ' 42' ' ' LEU . 7.3 t -109.34 -54.83 2.49 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 41' ' ' SER . 9.0 mp -116.36 120.43 38.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.692 -0.685 . . . . 1.0 109.644 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.43 138.92 31.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -90.49 111.42 23.44 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-O 121.484 0.659 . . . . 1.0 110.524 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 t -165.94 131.18 2.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.639 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 p -82.97 167.99 17.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.89 -38.89 79.89 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.455 -0.498 . . . . 1.0 109.661 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.72 -43.1 85.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 78.9 mm-40 -65.53 -37.95 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.49 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.0 -43.17 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.421 0.629 . . . . 1.0 110.282 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -55.66 -17.61 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.54 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 73.4 mmtt -62.88 -42.53 99.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.495 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.5 mmt 53.18 45.01 29.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.453 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 t -86.38 178.4 7.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.29 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.457 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -60.48 -41.15 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.029 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -63.59 -39.3 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.541 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -58.59 -32.02 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.1 -43.34 87.54 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.312 -0.555 . . . . 1.0 109.82 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.45 -45.06 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 122.066 0.936 . . . . 1.0 108.476 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.7 -46.88 87.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 113.897 -1.501 . . . . 1.0 111.934 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.35 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 1.0 110.007 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -87.74 -6.59 58.11 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.0 109.828 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 75.0 m-20 56.55 53.88 8.06 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.341 -0.845 . . . . 1.0 111.318 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 65.6 t -124.64 125.46 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.3 ttm-85 -63.09 147.94 49.32 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.529 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.95 130.59 70.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.032 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 m -134.13 160.28 41.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.25 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.2 t -74.64 152.57 39.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.846 -0.798 . . . . 1.0 108.846 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.489 ' C ' ' N ' ' A' ' 72' ' ' PHE . 76.5 tt0 -64.77 -32.71 74.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.46 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.92 -16.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.489 ' N ' ' C ' ' A' ' 70' ' ' GLU . 26.8 t80 -58.3 -39.9 80.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.175 -0.921 . . . . 1.0 109.549 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.72 -42.29 88.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.765 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -69.56 -34.96 74.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.401 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.533 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.2 m-20 -62.61 -49.74 74.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.405 -0.816 . . . . 1.0 112.403 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 5.9 m -66.12 -39.44 84.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.694 -0.802 . . . . 1.0 109.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.7 m -62.33 -40.95 98.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.83 -67.13 0.86 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.823 0.344 . . . . 1.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 t -60.84 -46.54 90.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.98 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 76' ' ' VAL . . . 44.52 42.47 5.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -85.67 -160.78 0.55 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.553 0.692 . . . . 1.0 110.354 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 m -62.48 142.66 57.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.801 -1.09 . . . . 1.0 109.398 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.22 -44.42 95.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.976 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -62.38 -41.95 99.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.131 -0.941 . . . . 1.0 112.113 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -65.51 -38.18 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.854 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.94 -42.11 97.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.037 0.384 . . . . 1.0 112.037 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 87' ' ' LEU . 4.2 pp -82.81 -11.58 58.14 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 119.859 -0.737 . . . . 1.0 110.996 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.3 m -62.39 -40.63 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.819 0.342 . . . . 1.0 110.362 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.79 -41.02 6.32 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 35.5 m-70 -65.45 -41.65 93.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.755 -178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 m -40.37 110.25 0.14 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.167 0.984 . . . . 1.0 111.91 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.8 mt -91.31 -1.82 57.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 113.65 -1.614 . . . . 1.0 109.101 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.6 p -139.77 163.62 32.13 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.149 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -121.44 36.72 4.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.57 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.3 p90 -139.54 166.28 25.0 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 149.41 58.59 0.01 OUTLIER Glycine 0 N--CA 1.465 0.574 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 1.0 111.734 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.0 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.728 0.299 . . . . 1.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.75 -52.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.57 2.18 . . . . 1.0 112.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.005 HD12 HD12 ' A' ' 29' ' ' LEU . 89.9 mt -98.99 2.33 46.25 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.983 -178.614 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -68.36 -31.37 70.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.39 0.515 . . . . 1.0 112.39 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -95.99 10.97 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.154 0.427 . . . . 1.0 112.154 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.1 ptm -150.43 168.94 22.67 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.289 -0.564 . . . . 1.0 112.117 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -99.37 166.61 11.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.505 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.713 HD11 HD22 ' A' ' 4' ' ' LEU . 35.9 mm -137.34 149.55 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.596 -0.729 . . . . 1.0 112.255 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.61 142.84 43.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.975 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -113.71 129.46 56.57 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.774 0.321 . . . . 1.0 110.725 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.3 tp -122.79 130.46 52.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.397 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.01 -142.07 45.81 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.593 -0.603 . . . . 1.0 111.593 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -120.9 155.23 34.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.906 0.384 . . . . 1.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -136.09 -176.14 4.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.244 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 t -59.34 -44.18 92.68 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.455 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' OE2' ' A' ' 70' ' ' GLU . 24.7 mt-30 -64.58 160.62 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.818 -0.808 . . . . 1.0 108.818 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -70.7 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.591 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -171.31 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.176 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.1 -41.31 97.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -67.35 -41.61 84.9 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.547 -0.751 . . . . 1.0 111.136 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.591 -0.731 . . . . 1.0 109.61 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.07 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.753 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.0 OUTLIER -67.07 -40.92 87.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.196 179.558 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.99 -43.8 99.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 1.0 110.366 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -59.19 -43.17 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.005 HD12 HD12 ' A' ' 4' ' ' LEU . 34.2 mt -63.08 -40.06 96.54 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.808 0.813 . . . . 1.0 109.61 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.78 -2.62 6.03 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 107.535 -2.226 . . . . 1.0 107.535 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.78 147.99 51.18 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.559 -1.017 . . . . 1.0 110.559 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -122.59 153.5 39.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.985 0.421 . . . . 1.0 110.489 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -97.24 125.08 41.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.768 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.1 m -125.31 132.06 52.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.28 -138.66 0.26 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.2 p 45.91 -126.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.607 -0.349 . . . . 1.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.67 -73.48 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.582 -0.447 . . . . 1.0 111.734 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 21.1 t-20 -59.69 -28.01 66.92 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.89 0.329 . . . . 1.0 111.89 -178.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.36 -35.87 72.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.35 160.3 31.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.412 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.8 p -103.62 -49.64 3.63 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.61 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -129.37 120.94 26.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.428 -178.682 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.57 ' N ' HD13 ' A' ' 42' ' ' LEU . 95.9 m -90.1 144.6 25.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 1.0 108.887 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.95 114.45 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.14 0.495 . . . . 1.0 110.12 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -157.25 149.19 22.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.037 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -93.06 166.09 12.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -37.5 83.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.73 -0.841 . . . . 1.0 108.73 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.62 -11.14 6.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 1.0 110.273 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -106.15 -36.2 6.98 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.097 0.475 . . . . 1.0 109.905 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.56 -42.13 89.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.183 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.74 -26.3 65.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.237 0.541 . . . . 1.0 110.394 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.26 -42.9 99.21 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.475 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.6 mmt 54.72 46.88 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.013 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 178.88 4.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.355 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.63 -40.93 96.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.508 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -60.33 -41.52 93.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.6 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -58.93 -36.28 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.362 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -60.12 -45.12 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.98 -45.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.4 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.82 -44.81 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.873 -0.603 . . . . 1.0 111.327 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.62 -13.51 60.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.531 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -91.75 -1.87 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.41 ' HB3' ' H ' ' A' ' 97' ' ' ALA . 73.1 m-20 57.41 56.09 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.197 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 ' SG ' ' A' ' 43' ' ' CYS . 61.7 t -124.52 122.66 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -68.89 152.33 45.42 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.216 -0.594 . . . . 1.0 109.692 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.48 134.94 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.936 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' N ' HD11 ' A' ' 42' ' ' LEU . 1.8 p -133.38 158.97 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.63 156.09 37.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.487 0.661 . . . . 1.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 17' ' ' GLN . 85.7 tt0 -61.33 -43.79 98.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.123 -0.944 . . . . 1.0 111.104 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -48.31 -17.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.089 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' N ' ' C ' ' A' ' 70' ' ' GLU . 46.7 t80 -59.23 -42.92 92.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.342 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.76 -42.08 88.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -67.34 -38.78 85.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.32 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' SER . 99.0 m-20 -62.58 -49.57 74.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 1.0 112.071 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 72' ' ' PHE . 22.3 m -66.74 -39.88 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 119.362 -0.935 . . . . 1.0 109.734 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.7 98.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.94 -69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.609 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 75' ' ' ASP . 27.3 m -71.74 141.34 49.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -136.45 68.09 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.885 0.374 . . . . 1.0 110.951 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -112.73 -148.27 0.43 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.884 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.8 t -65.02 129.59 40.26 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.433 0.635 . . . . 1.0 111.579 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.307 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 84' ' ' GLN . 5.8 mp0 -63.26 -41.22 99.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.671 -1.604 . . . . 1.0 111.014 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -66.49 -38.43 87.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.98 -44.1 96.98 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.775 -0.37 . . . . 1.0 111.257 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.81 -9.1 58.49 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.425 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.1 t -63.47 -42.95 98.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.079 0.466 . . . . 1.0 110.353 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.4 -43.66 5.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.896 -0.593 . . . . 1.0 112.101 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -58.87 -41.35 86.86 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.929 -0.309 . . . . 1.0 111.313 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -56.4 100.87 0.05 OUTLIER 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.925 0.869 . . . . 1.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.92 -35.18 79.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 114.069 -1.423 . . . . 1.0 108.789 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.0 p -90.66 168.11 12.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.344 0.593 . . . . 1.0 112.097 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -129.22 32.85 4.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.082 -0.963 . . . . 1.0 109.353 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.554 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 8.3 p90 -139.03 165.67 26.52 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.562 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 146.27 67.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.358 0 N-CA-C 109.959 -1.256 . . . . 1.0 109.959 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.471 0.577 0 C-N-CA 123.839 0.856 . . . . 1.0 109.269 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.85 0.357 . . . . 1.0 111.773 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.65 -57.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.729 2.286 . . . . 1.0 114.012 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.88 -3.87 51.01 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.255 0.465 . . . . 1.0 112.255 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -67.56 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.323 0.86 . . . . 1.0 113.323 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -107.8 23.42 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.7 ptm -159.69 159.98 33.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.774 -0.77 . . . . 1.0 112.429 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -97.72 155.11 17.16 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.485 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mm -132.69 135.09 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.1 130.16 56.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.747 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 p -95.94 132.13 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.234 -1.024 . . . . 1.0 108.234 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' ' 56' ' ' LYS . 19.3 tp -107.47 122.46 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.58 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 33.17 -127.66 0.35 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.765 -0.534 . . . . 1.0 111.765 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -82.49 150.12 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.998 0.428 . . . . 1.0 110.906 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER -139.9 169.82 17.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.419 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 17' ' ' GLN . 73.2 m -60.12 -42.53 94.97 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.983 0.364 . . . . 1.0 111.983 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 35.6 mm-40 -58.38 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.393 0.616 . . . . 1.0 109.733 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -110.27 -78.24 0.59 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.265 -0.879 . . . . 1.0 109.749 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -179.07 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.342 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -89.05 -21.67 23.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.101 -0.704 . . . . 1.0 109.101 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.33 -10.32 52.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.833 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.44 -61.44 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.851 0.358 . . . . 1.0 110.747 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -40.38 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.39 96.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.235 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -39.86 82.65 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.463 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.72 -43.39 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.738 0.304 . . . . 1.0 111.105 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.71 -31.58 71.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.018 0.437 . . . . 1.0 110.383 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -60.21 -43.93 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.138 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.53 -41.26 98.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 122.544 1.164 . . . . 1.0 109.15 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.62 -2.74 3.8 Favored Glycine 0 C--N 1.317 -0.493 0 N-CA-C 108.093 -2.003 . . . . 1.0 108.093 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.5 157.14 29.72 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -133.51 157.91 44.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.045 0.926 . . . . 1.0 111.676 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.57 129.99 56.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 113.999 -1.455 . . . . 1.0 110.165 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -130.65 158.32 40.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.819 0.343 . . . . 1.0 110.347 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.18 -171.79 48.16 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.45 -0.66 . . . . 1.0 111.45 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.02 -163.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 1.0 110.756 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -135.78 161.51 35.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.652 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 8.1 t-20 71.51 -25.2 0.17 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 37' ' ' ALA . 87.2 tttt -66.06 -34.18 77.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.87 173.33 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.536 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -103.32 -66.22 0.95 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.212 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.29 123.2 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.2 t -85.04 143.77 28.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.649 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.64 110.01 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 121.369 0.604 . . . . 1.0 111.116 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -159.04 150.0 20.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.67 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 p -93.95 164.75 12.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -36.77 81.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.781 -0.367 . . . . 1.0 110.118 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.86 -40.25 83.77 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -39.5 93.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.561 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.39 -43.17 98.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.125 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.4 -31.84 46.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.113 0.483 . . . . 1.0 111.593 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.31 -39.2 93.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.586 -0.733 . . . . 1.0 110.952 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.5 mmt 56.75 46.45 19.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.543 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 55' ' ' LYS . 35.9 t -77.79 -171.05 2.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OG ' ' A' ' 54' ' ' SER . 98.7 mttt -61.51 -39.49 91.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.059 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HB3' HD11 ' A' ' 12' ' ' LEU . 45.9 mmtm -60.67 -42.55 97.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.414 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 mmm -61.97 -40.23 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 1.0 110.633 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.58 -38.17 74.4 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.433 -0.507 . . . . 1.0 111.252 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.63 -44.05 78.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.902 -0.719 . . . . 1.0 110.835 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.34 -47.99 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 1.0 110.953 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.25 -43.7 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.987 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.02 -6.95 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.177 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.23 51.6 8.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.39 0.614 . . . . 1.0 110.005 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.565 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.6 t -117.88 125.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.87 156.49 27.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.817 -0.808 . . . . 1.0 108.817 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.446 ' H ' ' HB3' ' A' ' 93' ' ' SER . 70.2 t -117.28 129.25 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.885 0.374 . . . . 1.0 110.548 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.3 t -129.05 133.64 65.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.517 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 4.8 t -71.76 163.29 28.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.05 0.452 . . . . 1.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.62 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 57.0 mp0 -59.81 -40.56 88.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.866 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -42.65 -23.6 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.268 0.556 . . . . 1.0 110.427 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLU . 35.1 t80 -61.14 -41.96 97.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.968 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.1 -40.31 93.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.197 -0.668 . . . . 1.0 109.197 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.562 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.9 m-20 -63.15 -47.81 81.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 1.0 112.547 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.2 m -67.96 -38.9 80.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.768 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -63.34 -41.68 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.544 -0.753 . . . . 1.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.28 -67.95 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.166 0.507 . . . . 1.0 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' ASP . 10.3 p -70.01 147.05 50.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.461 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.54 7.55 46.26 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.186 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -50.67 156.28 0.96 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.129 -0.941 . . . . 1.0 112.252 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -71.46 152.12 43.36 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.645 -1.616 . . . . 1.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.84 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.871 -1.059 . . . . 1.0 111.529 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -60.26 -43.11 96.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.569 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 85' ' ' GLU . 42.6 mp0 -67.53 -40.48 85.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.402 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.47 -44.16 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 91' ' ' SER . 3.8 pp -78.29 -22.56 48.05 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.655 -0.418 . . . . 1.0 110.85 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.3 m -60.89 -42.82 98.72 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.777 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.0 -45.41 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.167 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.562 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 74.3 m-70 -67.08 -38.91 86.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 3.9 p -34.81 108.89 0.07 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.752 0.787 . . . . 1.0 112.299 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 69' ' ' CYS . 87.6 mt -91.71 -2.44 57.0 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.212 -1.358 . . . . 1.0 109.921 178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.562 ' OG ' ' CD2' ' A' ' 95' ' ' TRP . 26.8 t -132.88 148.78 52.29 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.301 0.572 . . . . 1.0 112.147 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.9 m -102.98 22.65 13.55 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.61 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.565 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 4.6 p90 -137.03 166.13 24.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.022 0.439 . . . . 1.0 110.937 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.643 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 155.98 54.69 0.01 OUTLIER Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.259 -0.736 . . . . 1.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.681 0.276 . . . . 1.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.7 mttt . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.582 0.229 . . . . 1.0 110.712 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 83.1 Cg_endo -79.01 -60.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.276 1.984 . . . . 1.0 112.158 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.8 mp -95.93 1.32 52.81 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.396 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -78.02 -6.92 56.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.312 . . . . 1.0 110.977 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -116.5 19.43 14.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.201 -0.454 . . . . 1.0 112.061 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 ptm -162.08 174.64 12.71 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 119.583 -0.847 . . . . 1.0 112.167 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -102.96 153.82 19.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.234 -0.894 . . . . 1.0 108.851 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mm -129.02 134.64 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.07 0.462 . . . . 1.0 111.867 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 tt -112.13 132.05 55.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.577 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p -103.59 123.33 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.734 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -62.01 -43.13 99.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.155 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.73 -123.69 1.19 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.67 134.58 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 110.24 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.74 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -139.55 -169.83 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.402 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -61.79 -44.55 96.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.782 -0.367 . . . . 1.0 111.815 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.476 ' N ' ' OE2' ' A' ' 70' ' ' GLU . 37.0 mt-30 -74.57 139.11 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 1.0 110.142 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -63.53 165.41 8.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.46 0.648 . . . . 1.0 110.512 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.92 -46.69 87.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.053 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.61 -41.56 68.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.214 0.53 . . . . 1.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.15 -45.01 64.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.251 0.834 . . . . 1.0 113.251 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.22 89.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 1.0 110.505 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -62.77 -42.19 99.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.533 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.02 98.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.326 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.428 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.2 tpp -65.73 -46.01 80.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.847 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.99 -44.54 99.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.045 0.45 . . . . 1.0 110.876 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.84 -32.92 70.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.383 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.56 -47.32 85.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.325 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 29' ' ' LEU . 8.4 mt -63.66 -40.32 96.54 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.022 0.915 . . . . 1.0 108.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.41 -1.11 3.62 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.083 -1.607 . . . . 1.0 109.083 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.08 146.98 47.57 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.218 -0.515 . . . . 1.0 111.885 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -127.55 149.02 50.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.056 -0.572 . . . . 1.0 110.448 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 34' ' ' THR . 94.0 mt -103.84 121.54 43.27 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.979 -0.748 . . . . 1.0 108.979 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 35' ' ' GLY . 1.3 m 175.61 161.02 0.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' N ' ' CG2' ' A' ' 34' ' ' THR . . . 109.44 133.23 6.66 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.435 -0.666 . . . . 1.0 111.435 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.6 m -61.12 -43.01 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 1.0 110.294 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -170.47 -79.29 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 22.3 t-20 -63.45 -32.11 73.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.981 0.363 . . . . 1.0 111.981 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -51.81 -33.39 35.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.5 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.217 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.8 t -95.5 -68.47 0.8 Allowed 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.819 -0.753 . . . . 1.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD22 ' HE ' ' A' ' 66' ' ' ARG . 83.0 mt -125.77 116.83 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.368 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.7 t -77.23 142.32 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.01 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.64 107.94 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.644 0.735 . . . . 1.0 110.263 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -151.72 134.97 15.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.961 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.3 p -87.65 166.56 14.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 1.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 16.4 tppt? -55.46 -41.29 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.737 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -54.76 -43.57 72.85 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.373 0.421 . . . . 1.0 110.509 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.5 -37.48 86.91 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.697 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.86 -23.44 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.922 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' LYS . 93.1 mt-10 -67.31 -36.4 81.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.772 0.796 . . . . 1.0 109.498 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -62.7 -42.62 99.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.186 -1.37 . . . . 1.0 112.867 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.68 44.85 28.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -72.82 175.94 6.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.744 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.97 85.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.144 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -61.49 -40.32 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -61.03 -39.1 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.86 -36.84 82.43 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.101 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.95 -45.01 94.46 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -63.89 -44.44 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.356 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.43 -45.83 92.24 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.09 67.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.74 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.558 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -87.16 -4.74 59.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.773 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 55.75 55.59 6.95 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.589 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.615 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.5 t -118.84 123.54 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.97 -0.381 . . . . 1.0 109.97 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HE ' HD22 ' A' ' 42' ' ' LEU . 57.5 ttp180 -59.2 158.11 9.51 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 91' ' ' SER . 50.9 t -114.66 133.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.927 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -122.69 133.33 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.0 t -71.89 154.05 41.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.176 0.512 . . . . 1.0 110.395 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 17' ' ' GLN . 84.7 tt0 -60.78 -34.99 75.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.147 -0.933 . . . . 1.0 111.859 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.77 -15.94 35.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.46 -42.09 95.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.27 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.83 -43.42 90.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.717 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.653 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.547 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 87.7 m-20 -63.21 -48.34 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.53 -42.75 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.721 -0.791 . . . . 1.0 109.797 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 p -64.33 -44.71 90.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.18 -49.02 38.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 1.0 111.052 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -122.14 136.32 54.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.951 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.03 66.83 0.73 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.801 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -92.88 -158.49 0.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.855 0.836 . . . . 1.0 110.662 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.6 m -76.41 139.4 40.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.962 -1.472 . . . . 1.0 110.983 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.9 tp -63.7 -43.02 97.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 1.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -62.23 -40.56 96.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.922 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -66.68 -41.93 87.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.113 -0.635 . . . . 1.0 110.684 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.15 -42.01 99.38 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 87' ' ' LEU . 3.2 pp -80.31 -4.58 53.95 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.083 -0.247 . . . . 1.0 110.831 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.5 p -64.01 -34.62 78.42 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.25 -37.08 3.11 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.635 0.606 . . . . 1.0 112.635 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.547 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 45.1 m-70 -66.47 -29.37 69.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.752 0.311 . . . . 1.0 111.331 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.645 ' C ' ' H ' ' A' ' 93' ' ' SER . 77.8 p -61.84 -24.56 66.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.926 0.713 . . . . 1.0 112.926 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 93' ' ' SER . 73.2 mt 70.74 -24.65 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.645 ' H ' ' C ' ' A' ' 91' ' ' SER . 26.2 t 52.96 123.22 0.0 OUTLIER 'General case' 0 C--N 1.341 0.212 0 CA-C-N 115.656 -0.702 . . . . 1.0 112.151 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB3' ' CE3' ' A' ' 95' ' ' TRP . 4.6 t -166.69 -56.27 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.101 -0.954 . . . . 1.0 110.405 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.615 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 42.9 p90 -151.83 -164.88 2.08 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.1 54.1 0.1 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.273 -0.731 . . . . 1.0 111.273 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.713 0.292 . . . . 1.0 110.235 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.72 -53.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.506 2.137 . . . . 1.0 113.867 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 9' ' ' ILE . 4.2 mm? -96.34 1.32 51.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.574 0.213 . . . . 1.0 111.574 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 6.5 m -78.56 128.11 33.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.744 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' SER . 12.3 m120 95.22 18.97 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.245 0.966 . . . . 1.0 110.423 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 4' ' ' LEU . 24.5 ptm -150.85 153.75 35.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.551 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' O ' ' OG ' ' A' ' 41' ' ' SER . 12.7 mptt -100.2 160.4 14.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.38 0.61 . . . . 1.0 110.128 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 4' ' ' LEU . 88.8 mt -129.14 151.56 35.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.409 -178.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -136.15 137.45 40.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.763 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.6 p -104.2 115.84 31.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.52 -0.918 . . . . 1.0 108.52 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 56' ' ' LYS . 42.7 tp -82.47 -77.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 1.0 111.202 -178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.7 -154.2 30.01 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.226 -0.511 . . . . 1.0 111.946 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -56.2 147.59 20.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -0.599 . . . . 1.0 111.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -106.92 127.34 53.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.87 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.0 m -62.33 -43.78 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.488 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 7.4 mt-30 -68.68 170.08 10.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.419 -0.81 . . . . 1.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -77.01 -147.54 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.176 -0.61 . . . . 1.0 109.426 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD3' ' HZ1' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -105.42 -58.79 1.85 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.845 0.355 . . . . 1.0 110.543 -179.263 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.86 -36.77 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.098 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.16 -45.84 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 17' ' ' GLN . . . -60.93 -46.26 91.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.868 -0.733 . . . . 1.0 109.696 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HZ1' ' HD3' ' A' ' 19' ' ' LYS . 98.1 mttt -63.11 -43.39 98.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.186 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.63 95.73 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.499 -0.481 . . . . 1.0 110.653 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -42.08 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.532 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.28 -44.38 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.628 -0.429 . . . . 1.0 112.132 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.03 -33.66 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.43 -0.508 . . . . 1.0 112.308 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.26 -43.65 95.97 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.596 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -63.48 -41.88 98.58 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.309 1.052 . . . . 1.0 109.446 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.57 -7.52 4.59 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.94 -2.064 . . . . 1.0 107.94 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 149.0 42.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -132.54 151.52 51.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.862 0.363 . . . . 1.0 110.448 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.18 119.72 39.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.34 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 35' ' ' GLY . 1.8 t 173.87 173.9 0.16 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' N ' ' OG1' ' A' ' 34' ' ' THR . . . 103.41 141.67 11.49 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.147 -0.479 . . . . 1.0 112.355 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -41.71 61.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.107 0.48 . . . . 1.0 110.154 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.78 -80.25 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.345 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 20.0 t-20 -63.68 -28.92 70.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.72 -35.74 68.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.55 161.38 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 89.2 p -98.37 -61.38 1.39 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 119.992 -0.683 . . . . 1.0 109.772 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.94 116.76 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.008 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 44' ' ' ILE . 2.8 t -82.01 154.94 25.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.452 -0.795 . . . . 1.0 110.264 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 46.9 mm -100.36 113.47 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 121.172 0.511 . . . . 1.0 110.577 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.9 m -159.45 159.53 33.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.783 . . . . 1.0 110.277 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -122.57 172.9 8.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.447 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.586 ' HG2' HD22 ' A' ' 92' ' ' LEU . 26.0 mmtt -57.06 -42.21 80.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.188 0.518 . . . . 1.0 109.64 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.93 -9.54 0.13 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.501 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 47' ' ' LYS . 94.6 mt-10 -113.77 -42.89 3.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.149 0.499 . . . . 1.0 110.211 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.41 -42.35 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.711 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.95 -31.48 60.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.718 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -65.03 -38.44 90.89 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.78 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.5 mmt 58.26 50.51 9.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.189 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 p -81.26 177.35 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.992 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.51 -37.27 80.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.793 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 12' ' ' LEU . 75.6 mmtt -59.28 -42.56 91.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.898 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.3 -38.67 92.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.368 0.604 . . . . 1.0 109.695 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -38.01 81.74 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.019 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.54 -46.11 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.77 0.319 . . . . 1.0 110.329 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.11 -44.87 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.22 -0.659 . . . . 1.0 109.22 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.99 -45.13 94.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 111.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.64 60.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.0 109.797 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.95 0.15 55.92 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.506 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 56.49 54.01 7.98 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.565 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.561 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 72.8 t -124.56 115.82 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.828 0.347 . . . . 1.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -62.84 158.05 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' SER . 47.8 t -116.44 134.49 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.816 0.341 . . . . 1.0 111.372 -177.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -127.18 132.25 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 151.33 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.177 0.513 . . . . 1.0 110.585 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 59.4 mp0 -46.15 -26.76 0.82 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.871 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.3 -18.86 65.0 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.28 -43.91 96.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.594 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.3 mt -62.03 -43.11 99.53 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.152 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -72.37 -34.79 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.22 -179.336 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.47 -47.68 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.467 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.9 m -68.42 -38.35 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.396 0.617 . . . . 1.0 110.742 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.1 p -61.24 -40.03 92.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.533 -0.758 . . . . 1.0 110.808 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -66.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.811 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.478 ' OG ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 t -68.42 -38.37 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.712 -178.057 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 53.56 31.44 12.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 1.0 110.894 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.478 ' CD ' ' OG ' ' A' ' 79' ' ' SER . 47.3 mtpt -68.39 -175.08 0.59 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.963 0.887 . . . . 1.0 112.697 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 150.7 43.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.577 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.79 -41.1 99.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 1.0 110.902 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.14 -41.45 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.879 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.96 -41.92 86.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 1.0 110.97 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.25 -41.92 99.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.268 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 87' ' ' LEU . 4.0 pp -79.33 -5.13 53.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 1.0 110.564 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.441 ' N ' HD12 ' A' ' 87' ' ' LEU . 18.6 m -61.49 -40.49 94.75 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.07 -20.9 5.19 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.814 0.672 . . . . 1.0 112.814 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -87.92 -7.5 57.06 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 93' ' ' SER . 69.5 p -60.2 -30.15 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 1.0 112.194 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.586 HD22 ' HG2' ' A' ' 47' ' ' LYS . 81.8 mt 43.92 13.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.065 0.459 . . . . 1.0 110.774 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 91' ' ' SER . 4.0 t -154.41 171.72 18.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.634 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.426 ' N ' ' OG ' ' A' ' 93' ' ' SER . 19.7 m -134.13 28.99 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.739 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.561 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 24.4 p90 -141.4 167.45 22.13 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.04 59.13 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.184 -1.166 . . . . 1.0 110.184 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.758 0.313 . . . . 1.0 110.95 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 18.0 tptt . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 95.2 Cg_endo -89.1 -57.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.998 0 C-N-CA 121.446 1.43 . . . . 1.0 113.804 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 29' ' ' LEU . 90.4 mt -99.3 -2.63 35.98 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -65.04 -34.8 79.29 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -98.71 13.37 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.513 0.56 . . . . 1.0 112.513 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.51 158.74 44.32 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.302 -0.559 . . . . 1.0 111.942 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -104.23 153.42 21.01 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.2 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 mm -121.41 137.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.739 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -110.25 133.12 53.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -118.37 125.79 50.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.62 -0.263 . . . . 1.0 111.069 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' CD1' ' SG ' ' A' ' 43' ' ' CYS . 9.2 mp -62.25 -42.1 99.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.33 -68.17 0.27 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.93 130.77 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD11 ' OE2' ' A' ' 70' ' ' GLU . 23.3 tp -131.72 133.1 44.46 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -61.26 -44.6 96.97 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.873 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 5.4 mt-30 -57.42 172.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -74.26 -76.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.68 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 -63.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 1.0 109.967 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.68 -38.96 93.07 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.536 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 22' ' ' ALA . 20.8 pt-20 -68.91 -40.99 78.78 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.867 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 21' ' ' GLU . . . -59.44 -50.88 72.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.059 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.58 -43.84 97.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.978 -1.01 . . . . 1.0 111.266 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.54 74.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.877 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 ptm -67.87 -41.18 83.25 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 120.033 -0.667 . . . . 1.0 112.247 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.701 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.62 -30.65 59.59 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.3 -44.81 92.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.981 0.42 . . . . 1.0 110.628 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 4' ' ' LEU . 78.0 mt -62.74 -39.78 95.16 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 107.786 -1.191 . . . . 1.0 107.786 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.59 0.91 7.2 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 107.377 -2.289 . . . . 1.0 107.377 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.85 154.32 36.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -139.03 153.29 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.109 -0.33 . . . . 1.0 110.109 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -95.57 125.75 40.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.352 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 119.46 34.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.136 0.493 . . . . 1.0 110.754 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -37.4 85.86 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.765 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 m -64.28 142.41 58.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.556 0.217 . . . . 1.0 110.653 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -91.69 157.2 17.08 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.364 -0.38 . . . . 1.0 109.996 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 7.6 t-20 72.72 -35.93 0.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.359 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 37' ' ' ALA . 65.4 tttm -64.78 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.381 0.61 . . . . 1.0 109.48 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.73 176.74 2.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.277 -0.874 . . . . 1.0 110.262 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.7 m -106.84 -68.08 0.91 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.49 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.05 120.94 38.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 1.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 12' ' ' LEU . 5.4 t -80.05 151.87 29.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.723 -1.126 . . . . 1.0 110.069 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 11.7 mm -102.23 108.9 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 8.1 t -158.72 136.21 10.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.771 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -90.6 167.2 12.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.322 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 92' ' ' LEU . 18.8 mmtt -56.03 -39.92 72.69 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.161 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 32.5 mtmm -55.96 -42.87 76.89 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.371 -0.932 . . . . 1.0 109.098 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -71.04 -43.55 67.61 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.67 -42.45 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.914 0.387 . . . . 1.0 110.555 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.23 -33.35 63.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 53.6 mttt -64.79 -38.41 90.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.574 0.226 . . . . 1.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.9 mmt 60.51 54.35 3.82 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.769 -0.65 . . . . 1.0 109.97 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -82.66 -176.34 6.22 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.292 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.92 -43.77 94.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.45 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.66 -41.12 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 1.0 110.233 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.148 -0.686 . . . . 1.0 109.148 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -39.19 78.78 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.333 -0.848 . . . . 1.0 109.558 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 3.7 mm-40 -65.87 -42.58 90.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.77 -47.98 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.185 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -63.52 -44.36 94.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 1.0 110.62 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.25 -10.84 59.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.971 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.538 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.57 -2.73 53.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.167 -0.309 . . . . 1.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 57.68 56.24 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.232 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.541 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 54.0 t -125.24 125.97 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.199 -0.667 . . . . 1.0 109.199 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -64.64 151.46 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.18 131.95 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.165 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.81 157.43 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 0.8 OUTLIER -79.27 155.38 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 179.758 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.535 ' OE2' HD11 ' A' ' 15' ' ' LEU . 79.7 tt0 -61.11 -34.17 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.857 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -49.42 -14.25 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.497 ' N ' ' C ' ' A' ' 70' ' ' GLU . 10.5 t80 -59.89 -41.03 90.7 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 1.0 108.916 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.421 ' CD2' HD11 ' A' ' 4' ' ' LEU . 93.4 mt -59.56 -42.07 91.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.036 -0.727 . . . . 1.0 109.036 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -65.97 -39.11 90.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.194 0.521 . . . . 1.0 110.297 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.567 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.7 m-20 -62.14 -48.61 79.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.461 -0.791 . . . . 1.0 112.504 -178.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.423 HG13 ' CE1' ' A' ' 72' ' ' PHE . 18.9 m -70.0 -37.87 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.716 0.769 . . . . 1.0 109.673 179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.8 t -62.2 -43.45 98.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.572 -1.195 . . . . 1.0 110.64 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.76 -63.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.018 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -105.92 125.04 50.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.34 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.31 69.21 0.74 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HZ2' ' HG ' ' A' ' 86' ' ' LEU . 22.9 pttp -103.04 -153.3 0.47 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.582 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.5 t -63.39 132.36 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.067 0.46 . . . . 1.0 111.443 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.49 -42.8 95.64 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.067 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -58.56 -42.36 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 113.647 -1.615 . . . . 1.0 111.015 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 88' ' ' SER . 81.7 tt0 -66.42 -38.87 88.41 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.829 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' HZ2' ' A' ' 81' ' ' LYS . 93.1 mt -64.52 -44.0 92.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.318 -0.553 . . . . 1.0 111.961 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' O ' ' OG ' ' A' ' 91' ' ' SER . 3.7 pp -80.87 -17.07 51.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.642 -0.423 . . . . 1.0 111.563 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 76.2 p -63.32 -40.31 96.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.336 -0.546 . . . . 1.0 110.638 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.42 -21.96 15.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.765 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.567 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 39.8 m-70 -90.47 -11.43 40.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.004 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 3.1 p -67.38 94.22 0.38 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.708 0.766 . . . . 1.0 111.013 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 47' ' ' LYS . 83.0 mt -69.83 -21.48 63.37 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.273 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.8 m -126.46 156.05 41.28 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.283 0.563 . . . . 1.0 111.486 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 p -104.88 24.11 12.41 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.527 -0.76 . . . . 1.0 111.004 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.541 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.5 p90 -132.3 173.39 11.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.673 0.273 . . . . 1.0 110.693 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 97' ' ' ALA . . . 158.77 -7.61 0.16 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.736 -0.745 . . . . 1.0 112.42 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.466 0.365 0 N-CA-C 110.482 -0.192 . . . . 1.0 110.482 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.748 0.277 . . . . 1.0 111.748 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.18 -56.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 121.859 1.706 . . . . 1.0 112.38 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.507 HD12 HD11 ' A' ' 9' ' ' ILE . 4.2 mm? -99.26 0.85 43.97 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.775 -0.193 . . . . 1.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 29' ' ' LEU . 6.5 m -79.17 -7.77 58.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.219 0.452 . . . . 1.0 112.219 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -114.85 14.84 17.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.637 0.256 . . . . 1.0 111.254 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.402 ' SD ' HD13 ' A' ' 4' ' ' LEU . 16.7 ptm -152.98 160.89 43.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.063 0.458 . . . . 1.0 111.373 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -100.37 155.67 17.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.31 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.507 HD11 HD12 ' A' ' 4' ' ' LEU . 96.0 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 115.883 -0.599 . . . . 1.0 112.538 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -120.93 137.61 54.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.189 -0.914 . . . . 1.0 110.395 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -99.68 112.31 24.55 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.9 tt -64.0 -43.3 96.07 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.6 -94.08 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.54 -0.838 . . . . 1.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.79 131.87 45.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 1.0 110.35 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.73 131.44 53.79 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.271 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -61.73 -46.71 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.605 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.59 170.91 12.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.598 HD21 ' CD ' ' A' ' 21' ' ' GLU . 18.2 p30 -91.89 169.96 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.113 0.482 . . . . 1.0 110.544 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -49.95 -71.8 0.06 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.508 0.929 . . . . 1.0 113.508 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.19 -48.34 79.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.777 1.028 . . . . 1.0 113.777 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.598 ' CD ' HD21 ' A' ' 18' ' ' ASN . 48.9 mt-10 -69.71 -41.69 75.03 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.205 -0.598 . . . . 1.0 112.53 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.2 -49.55 75.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.755 0.788 . . . . 1.0 109.38 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.06 -43.7 97.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.4 -1.273 . . . . 1.0 110.272 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.68 85.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.864 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.0 tpp -62.9 -44.75 95.24 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.009 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.24 -44.71 99.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -70.88 -31.6 68.31 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.672 -0.411 . . . . 1.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -59.66 -45.86 90.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.36 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 5' ' ' SER . 12.7 mt -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.123 0.963 . . . . 1.0 109.147 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.27 -3.64 4.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.237 -1.945 . . . . 1.0 108.237 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.98 151.64 41.38 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -132.47 150.95 52.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.681 0.276 . . . . 1.0 110.46 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' O ' ' OG1' ' A' ' 34' ' ' THR . 90.0 mt -101.38 107.08 18.32 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 3.5 m -170.27 164.07 8.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.151 0.501 . . . . 1.0 111.276 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' HG22 ' A' ' 34' ' ' THR . . . 101.2 128.3 6.34 Favored Glycine 0 CA--C 1.522 0.501 0 CA-C-N 115.397 -0.82 . . . . 1.0 111.186 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.2 p -68.06 -38.35 82.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.471 0.177 . . . . 1.0 111.073 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.37 -89.33 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 120.908 -0.317 . . . . 1.0 111.367 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.34 -31.02 72.05 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -52.37 -35.34 51.13 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.247 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 174.28 7.03 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.109 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.58 ' C ' HD12 ' A' ' 42' ' ' LEU . 9.9 t -100.88 -76.92 0.55 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.214 0.531 . . . . 1.0 109.911 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.632 HD21 HH21 ' A' ' 66' ' ' ARG . 8.6 mp -116.23 123.58 48.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.353 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 t -82.63 143.71 30.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.785 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.514 HD13 HG13 ' A' ' 68' ' ' VAL . 4.6 mm -91.85 109.55 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.166 0.508 . . . . 1.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -154.0 139.96 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.655 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.5 p -84.01 168.97 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -61.85 -37.48 84.64 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -58.94 -41.1 86.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.461 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -65.8 -41.0 92.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 1.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.66 -42.15 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.773 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -53.73 -29.51 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 1.0 111.431 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.788 -0.642 . . . . 1.0 111.819 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.7 mmt 57.29 47.3 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.381 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -74.96 174.87 8.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.135 -0.939 . . . . 1.0 110.887 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -59.82 -37.88 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.636 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -63.1 -40.73 98.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.869 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -61.73 -40.17 94.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.984 0.421 . . . . 1.0 110.744 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.44 -31.84 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.622 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 19.8 mt-10 -66.2 -45.49 80.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.706 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.4 -46.35 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.523 . . . . 1.0 109.726 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -63.97 -44.5 92.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.588 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.48 -11.26 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.221 0.534 . . . . 1.0 110.563 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . -95.05 0.51 54.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.179 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 57.91 57.03 4.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.205 0.526 . . . . 1.0 110.679 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 67.3 t -124.13 116.39 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.503 -0.771 . . . . 1.0 109.732 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.632 HH21 HD21 ' A' ' 42' ' ' LEU . 56.1 ttp180 -65.9 157.02 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.22 132.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.4 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.514 HG13 HD13 ' A' ' 44' ' ' ILE . 13.7 p -122.8 134.27 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.781 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.54 159.96 27.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.27 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -63.4 -33.93 76.62 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.211 0.449 . . . . 1.0 112.211 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -59.11 -15.88 16.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.107 -0.637 . . . . 1.0 109.332 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -61.04 -41.91 97.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.403 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.77 -42.44 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.222 -0.899 . . . . 1.0 110.396 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -67.27 -40.05 86.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.423 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 95.2 m-20 -63.06 -47.99 80.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.99 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.74 -37.6 77.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.74 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.8 p -62.62 -38.31 89.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.864 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.26 -64.83 1.1 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.608 0.595 . . . . 1.0 112.608 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' ASP . 2.6 m -61.13 -41.61 97.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.864 -0.607 . . . . 1.0 112.258 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 50.78 42.07 27.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.036 0.384 . . . . 1.0 112.036 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -79.71 -168.35 1.55 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.82 0.819 . . . . 1.0 111.389 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.5 m -73.41 144.03 46.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.113 -1.403 . . . . 1.0 109.668 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 83' ' ' LEU . 5.9 mp -63.22 -42.52 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.369 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -60.67 -44.89 95.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.772 -0.371 . . . . 1.0 111.505 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -67.3 -37.79 83.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.339 0.59 . . . . 1.0 109.646 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 41.2 mt -63.52 -42.87 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.575 -0.739 . . . . 1.0 112.314 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD22 HH12 ' A' ' 66' ' ' ARG . 3.4 pp -82.37 -11.07 58.8 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.099 -0.64 . . . . 1.0 110.432 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -62.67 -41.52 99.12 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.456 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.98 -28.24 9.69 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.606 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 35.1 m-70 -80.28 -21.71 42.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.676 -0.41 . . . . 1.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 93' ' ' SER . 27.2 t -61.95 122.54 15.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.053 0.93 . . . . 1.0 110.033 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 mt -98.64 2.84 47.63 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 113.664 -1.607 . . . . 1.0 110.363 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 91' ' ' SER . 27.3 p -148.76 160.88 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.441 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -116.7 38.72 3.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.92 0.39 . . . . 1.0 111.346 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.559 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.8 p90 -142.08 163.31 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.791 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 149.2 54.71 0.02 OUTLIER Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 1.0 110.332 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.2 mttm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.666 0.27 . . . . 1.0 110.755 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.11 -51.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.431 2.088 . . . . 1.0 112.713 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.749 HD12 HD12 ' A' ' 29' ' ' LEU . 75.2 mt -104.35 3.21 32.17 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 1.0 112.269 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -70.98 -17.26 62.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.54 -0.464 . . . . 1.0 111.707 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -104.74 3.92 31.85 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 121.05 -0.26 . . . . 1.0 111.651 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.0 ptm -147.72 166.39 27.61 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.788 -0.765 . . . . 1.0 112.421 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.474 ' O ' ' OG ' ' A' ' 41' ' ' SER . 13.9 mptt -101.39 175.45 5.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 114.809 -1.087 . . . . 1.0 108.553 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.6 mm -140.75 152.06 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.49 140.66 50.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.922 0.392 . . . . 1.0 110.742 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -109.61 104.55 13.59 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.594 -0.891 . . . . 1.0 108.594 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 12' ' ' LEU . 39.0 tp -63.27 -42.66 99.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.688 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' LYS . . . 169.04 158.71 13.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.264 -0.735 . . . . 1.0 111.264 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 13' ' ' GLY . 59.9 tttm 56.17 152.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 1.0 111.065 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.7 tp -167.49 127.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.494 -0.483 . . . . 1.0 110.456 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 t -65.02 -43.32 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 1.0 110.636 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.521 HE21 ' HA ' ' A' ' 22' ' ' ALA . 29.6 mt-30 -67.77 150.29 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.407 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -73.58 160.3 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 19.4 ptmt -56.89 -47.07 81.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.629 -0.829 . . . . 1.0 111.079 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 46.6 t0 -65.06 -47.81 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.42 -43.82 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.217 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' HE21 ' A' ' 17' ' ' GLN . . . -63.14 -54.78 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.26 0.552 . . . . 1.0 111.068 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' NZ ' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.18 -43.0 99.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.231 -178.08 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 23' ' ' LYS . . . -60.17 -49.8 76.21 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.432 -0.507 . . . . 1.0 111.176 -179.13 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 ptm -66.51 -39.62 88.76 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.973 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.91 -44.22 99.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.829 -0.349 . . . . 1.0 111.916 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.79 -23.89 52.87 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.14 -45.93 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.193 0.521 . . . . 1.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.749 HD12 HD12 ' A' ' 4' ' ' LEU . 31.0 mt -63.81 -40.29 96.29 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 122.38 1.086 . . . . 1.0 109.282 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.08 -1.57 5.82 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 107.548 -2.221 . . . . 1.0 107.548 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 152.52 32.59 Favored Glycine 0 C--N 1.34 0.765 0 N-CA-C 110.238 -1.145 . . . . 1.0 110.238 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -141.16 150.44 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.644 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -97.23 138.3 34.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.9 t -135.49 161.17 36.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.446 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -87.18 -133.94 3.98 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.4 t 38.43 -146.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.01 -66.37 0.38 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.026 -0.27 . . . . 1.0 110.301 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -62.58 -25.6 68.16 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.423 0.527 . . . . 1.0 112.423 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -58.66 -36.26 73.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.48 167.97 20.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.722 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 30.0 p -102.1 -69.63 0.78 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.312 0.577 . . . . 1.0 109.551 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.89 119.45 37.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.756 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.0 t -84.16 138.44 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.016 -0.993 . . . . 1.0 110.599 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.69 111.84 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.533 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -164.62 147.74 8.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.652 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 p -90.48 164.73 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -39.9 89.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.56 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.82 -43.93 77.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.56 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -62.74 -40.39 97.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.378 0.609 . . . . 1.0 109.85 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.42 -43.28 96.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.317 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -56.98 -19.21 16.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.782 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -63.49 -40.75 97.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.8 mmt 52.45 48.0 23.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.116 -0.947 . . . . 1.0 110.112 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -85.41 179.88 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.13 -41.57 92.97 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.254 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.46 -42.87 92.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -39.17 92.14 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.525 -0.546 . . . . 1.0 109.525 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -36.82 76.35 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.997 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -63.86 -42.12 97.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.206 0.527 . . . . 1.0 109.874 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.6 -44.62 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.576 -0.898 . . . . 1.0 108.576 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.2 -48.31 80.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.624 -1.171 . . . . 1.0 112.098 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.95 60.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.082 0.468 . . . . 1.0 110.617 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.83 -2.01 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.467 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.441 ' HB3' ' H ' ' A' ' 97' ' ' ALA . 73.2 m-20 58.17 55.45 5.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.96 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.573 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 79.7 t -122.48 124.42 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -70.82 156.51 39.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' SER . 41.6 t -108.64 131.44 59.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.53 140.32 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.296 0.57 . . . . 1.0 111.309 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.1 p -67.78 153.73 43.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.464 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -65.51 -33.59 76.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.898 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.27 -14.12 10.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 76' ' ' VAL . 42.7 t80 -59.66 -42.53 93.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.462 -0.79 . . . . 1.0 111.112 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.31 -42.18 90.77 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.032 -0.729 . . . . 1.0 109.032 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -33.73 67.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 1.0 111.28 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 79' ' ' SER . 92.6 m-20 -64.36 -47.62 78.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.415 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.436 HG11 ' CE1' ' A' ' 72' ' ' PHE . 28.7 m -66.75 -39.27 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.569 -0.853 . . . . 1.0 109.511 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.604 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.79 -67.18 0.87 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.253 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.8 m -64.57 143.21 58.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.257 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.82 27.5 8.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.583 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -72.46 -164.01 0.14 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.827 0.822 . . . . 1.0 110.65 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -77.77 145.07 36.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.979 -1.464 . . . . 1.0 110.519 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.4 -43.53 97.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.194 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -66.2 -40.97 90.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.947 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.83 -32.88 74.65 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.899 0.38 . . . . 1.0 110.82 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.47 -39.76 94.47 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.744 -0.382 . . . . 1.0 110.267 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 91' ' ' SER . 10.8 mt -62.94 -26.0 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.331 0.586 . . . . 1.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 m -51.01 -38.69 52.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.168 -0.923 . . . . 1.0 110.806 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.06 10.8 17.53 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.229 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.423 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 46.1 m-70 -131.75 -4.42 3.65 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.998 -0.281 . . . . 1.0 111.738 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 93' ' ' SER . 67.8 m -59.17 -40.17 84.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.404 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.7 mt 46.21 4.56 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.528 -0.305 . . . . 1.0 111.604 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 91' ' ' SER . 12.1 t -155.06 161.25 41.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.62 -0.264 . . . . 1.0 110.694 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -114.32 8.93 16.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.573 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 29.3 p90 -123.25 171.0 9.7 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.04 0.447 . . . . 1.0 111.218 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.651 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 143.21 64.7 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.389 -1.084 . . . . 1.0 110.389 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 121.332 0.587 . . . . 1.0 110.174 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.742 0.306 . . . . 1.0 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.59 -54.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.684 2.256 . . . . 1.0 112.129 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 29' ' ' LEU . 96.7 mt -103.01 -2.19 28.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 86.3 p -84.1 90.46 7.47 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.665 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 5' ' ' SER . 10.4 p30 147.85 -6.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.386 1.054 . . . . 1.0 109.021 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 ptm -134.27 151.16 51.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.909 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -93.51 155.1 17.52 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 HD13 ' A' ' 4' ' ' LEU . 91.3 mt -128.5 153.81 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.569 0.952 . . . . 1.0 113.569 -176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' N ' HG22 ' A' ' 9' ' ' ILE . 7.1 tt -133.73 150.42 51.49 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.312 -1.313 . . . . 1.0 110.28 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -133.41 144.13 49.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 56' ' ' LYS . 15.9 tp -116.6 124.04 48.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.164 0.507 . . . . 1.0 112.025 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.64 -130.53 45.96 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.516 -0.766 . . . . 1.0 113.808 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -60.6 137.32 58.19 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.372 -0.914 . . . . 1.0 113.226 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.6 tp -124.45 128.59 49.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.604 -1.18 . . . . 1.0 109.468 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -61.48 -43.62 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.132 0.492 . . . . 1.0 110.339 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.437 HE22 HD12 ' A' ' 73' ' ' LEU . 28.0 mt-30 -73.0 148.75 43.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.806 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -78.99 -161.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.671 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.73 -71.44 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.606 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.65 -43.61 97.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.998 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -38.69 92.03 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.836 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 -65.59 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.876 -0.73 . . . . 1.0 111.464 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.17 -40.32 85.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.468 0.544 . . . . 1.0 112.468 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.53 95.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.833 -0.747 . . . . 1.0 112.067 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.4 ptm -72.0 -38.64 69.6 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.035 -0.666 . . . . 1.0 111.94 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.87 -44.85 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.746 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.29 -23.06 61.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.521 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.59 -48.48 81.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.354 0.597 . . . . 1.0 109.452 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 4' ' ' LEU . 41.0 mt -65.13 -41.43 94.84 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.147 0.975 . . . . 1.0 109.73 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.8 -5.5 5.79 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 108.293 -1.923 . . . . 1.0 108.293 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.77 151.6 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.656 -0.977 . . . . 1.0 110.656 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -135.11 155.67 50.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.954 0.407 . . . . 1.0 110.752 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.8 127.88 49.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.799 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -88.98 166.51 13.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.493 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.15 13.88 26.13 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 p -151.43 163.43 39.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.788 0.328 . . . . 1.0 110.525 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.574 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -80.75 161.61 24.47 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.518 0.675 . . . . 1.0 112.204 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 11.3 t-20 62.34 -22.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.687 -1.142 . . . . 1.0 112.247 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' A' ' 37' ' ' ALA . 32.1 tptt -62.32 -35.88 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.3 -173.72 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.087 -0.96 . . . . 1.0 110.133 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.637 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.3 p -120.2 -47.63 2.36 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.725 HD23 HG11 ' A' ' 68' ' ' VAL . 11.0 mp -118.11 124.21 47.48 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 1.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.58 137.23 32.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.109 . . . . 1.0 110.055 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -91.7 108.78 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.306 0.574 . . . . 1.0 110.812 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -161.9 156.49 22.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.374 -0.83 . . . . 1.0 110.038 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.468 ' CG2' ' OE1' ' A' ' 70' ' ' GLU . 55.2 p -112.24 167.74 10.17 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' VAL . 14.5 mmtt -50.74 -47.72 59.24 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 120.295 -0.562 . . . . 1.0 110.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' LYS . 25.4 mtpp -38.85 -43.51 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.232 0.333 . . . . 1.0 110.35 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -71.3 -43.63 66.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.119 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.721 ' O ' ' SD ' ' A' ' 53' ' ' MET . 5.5 t -67.96 -20.41 25.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.353 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.69 -38.92 87.76 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 120.854 -1.154 . . . . 1.0 108.573 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -71.14 -44.4 65.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.747 -1.115 . . . . 1.0 112.685 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' MET . . . . . 0.721 ' SD ' ' O ' ' A' ' 50' ' ' VAL . 11.4 mmm 52.23 59.17 4.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.9 -0.778 . . . . 1.0 108.9 -176.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.8 m -80.26 -174.06 4.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.596 -1.183 . . . . 1.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -60.45 -37.97 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.986 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HB3' HD11 ' A' ' 12' ' ' LEU . 75.2 mmtt -61.03 -40.17 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.21 -39.95 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.187 0.518 . . . . 1.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.63 -33.6 66.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.91 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 18.6 mm-40 -64.36 -45.79 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.55 -46.34 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.194 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.29 -44.27 96.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.653 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.24 2.58 35.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.713 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -105.82 -10.53 16.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.79 0.329 . . . . 1.0 110.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.5 ' CG ' ' H ' ' A' ' 97' ' ' ALA . 3.0 t-20 62.35 59.78 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.743 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.532 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 81.0 t -127.68 126.9 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.535 HH21 HD11 ' A' ' 42' ' ' LEU . 46.7 ttp180 -65.99 145.21 56.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.437 -0.579 . . . . 1.0 109.437 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -106.57 132.45 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.405 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.725 HG11 HD23 ' A' ' 42' ' ' LEU . 26.9 m -130.54 156.88 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.919 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.25 160.16 18.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.454 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.468 ' OE1' ' CG2' ' A' ' 46' ' ' THR . 54.9 mp0 -63.46 -35.62 81.06 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.57 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.79 -12.47 24.53 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.94 -44.35 97.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.225 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 4' ' ' LEU . 94.7 mt -61.4 -41.0 96.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.324 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.15 -39.39 92.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.811 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.555 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 88.9 m-20 -62.33 -50.19 72.6 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.453 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.73 -37.68 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.726 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.0 m -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.073 -0.967 . . . . 1.0 111.122 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.3 -60.02 1.82 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' ASP . 5.8 p -60.42 -43.83 96.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.682 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 49.53 34.11 6.54 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -78.5 -168.78 1.46 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.661 0.743 . . . . 1.0 111.381 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.6 m -63.34 142.05 58.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.596 -1.184 . . . . 1.0 109.674 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.405 ' H ' HD12 ' A' ' 83' ' ' LEU . 4.5 mp -63.28 -42.92 99.14 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.469 -0.493 . . . . 1.0 111.355 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -64.99 -40.09 94.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.546 -0.297 . . . . 1.0 111.052 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' OG ' ' A' ' 88' ' ' SER . 83.0 tt0 -63.34 -35.92 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.618 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.85 -40.26 96.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 91' ' ' SER . 7.4 mt -63.93 -29.24 70.43 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.469 -0.937 . . . . 1.0 108.469 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 24.6 p -57.98 -35.67 71.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.822 -1.081 . . . . 1.0 111.098 -176.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.28 -0.06 15.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.275 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' HIS . . . . . 0.555 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 56.4 m-70 -129.94 4.56 4.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.446 0.536 . . . . 1.0 112.446 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.7 p -75.57 99.4 4.26 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.518 0.675 . . . . 1.0 110.526 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.09 -11.33 50.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.004 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -148.68 155.51 41.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.839 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.3 p -106.69 -0.69 23.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' TRP . . . . . 0.532 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 6.8 p90 -101.44 168.45 9.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.707 -0.224 . . . . 1.0 110.824 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.88 59.06 0.07 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.36 -0.696 . . . . 1.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 1.0 111.649 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 53.7 mttm -140.8 44.01 0.61 Allowed Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.084 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 53.8 Cg_endo -67.86 -52.1 0.57 Allowed 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.298 1.999 . . . . 1.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.4 mm? -95.0 -3.98 47.44 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.848 0.314 . . . . 1.0 111.848 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -66.97 -17.53 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -100.54 7.98 43.75 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.086 -0.246 . . . . 1.0 111.419 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.411 ' HE3' HD13 ' A' ' 42' ' ' LEU . 19.4 ptm -150.22 153.13 35.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.336 -0.546 . . . . 1.0 112.092 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -89.23 156.27 18.87 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.495 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mm -132.23 150.03 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.857 0.837 . . . . 1.0 112.936 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 tt -139.3 139.0 37.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.156 -1.384 . . . . 1.0 108.636 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -126.63 127.97 46.04 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.235 0.541 . . . . 1.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.3 125.09 49.36 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.338 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.12 178.59 51.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -75.71 138.8 41.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.153 0.502 . . . . 1.0 111.338 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -123.48 172.38 8.77 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.417 -0.81 . . . . 1.0 110.221 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m -58.74 -42.56 89.1 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.328 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.5 mp0 -74.36 136.51 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.942 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -74.85 -178.47 3.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.371 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -60.56 -51.92 67.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.83 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.61 -10.24 59.76 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.351 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -100.46 -24.78 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.878 -178.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.68 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 1.0 110.771 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.0 -44.67 96.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.605 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.5 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 1.0 112.02 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -68.88 -39.49 79.78 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.871 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.13 -44.05 99.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.573 -0.451 . . . . 1.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -71.27 -30.28 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.81 -43.86 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.407 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.77 -42.11 99.54 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 122.198 0.999 . . . . 1.0 109.404 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.11 -5.84 3.97 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 107.761 -2.136 . . . . 1.0 107.761 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.56 153.4 28.58 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -130.99 152.05 50.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.338 . . . . 1.0 110.643 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -102.18 113.79 27.36 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.103 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -88.02 163.77 16.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.281 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.68 -17.39 9.83 Favored Glycine 0 N--CA 1.468 0.769 0 N-CA-C 111.323 -0.711 . . . . 1.0 111.323 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -84.2 -137.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.74 -69.91 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.664 0.269 . . . . 1.0 111.168 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 16.2 t-20 -63.62 -27.98 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.687 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.17 -35.0 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.309 -0.556 . . . . 1.0 109.664 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.64 158.19 30.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.037 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.554 ' C ' HD12 ' A' ' 42' ' ' LEU . 74.7 m -95.27 -71.97 0.65 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.677 HD23 HG11 ' A' ' 68' ' ' VAL . 10.9 mp -115.5 121.26 42.16 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.1 t -81.5 140.21 34.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.161 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -95.23 112.72 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.303 0.573 . . . . 1.0 110.015 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -157.96 152.21 24.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.888 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.8 p -95.25 163.78 13.13 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.85 81.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.473 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.07 -39.54 75.14 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.001 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.2 -39.87 89.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.99 -43.9 96.09 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.505 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -51.72 -37.1 49.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.872 0.368 . . . . 1.0 111.711 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -63.39 -38.87 92.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.144 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.4 mmt 58.33 57.87 3.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.81 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -76.78 176.03 8.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.62 -40.57 95.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.962 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HD3' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.46 -38.99 91.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.217 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.41 -39.98 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.86 -35.52 76.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.08 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -64.36 -44.6 90.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.125 0.488 . . . . 1.0 109.75 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.421 -0.809 . . . . 1.0 109.497 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.88 -46.06 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.423 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.98 -11.35 60.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.854 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -90.01 -6.63 55.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.733 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 1.9 t-20 60.63 54.7 3.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.541 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.582 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 48.4 t -124.17 125.88 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.804 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NH1' HD13 ' A' ' 87' ' ' LEU . 43.7 ttm180 -69.33 147.62 50.85 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.635 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.485 ' H ' ' HB2' ' A' ' 93' ' ' SER . 54.2 t -112.72 131.38 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.387 -0.824 . . . . 1.0 109.619 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.677 HG11 HD23 ' A' ' 42' ' ' LEU . 31.5 m -130.97 160.79 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.878 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.74 151.91 33.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.853 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.634 ' CD ' ' H ' ' A' ' 70' ' ' GLU . 3.3 pm0 -63.91 -31.12 72.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.742 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.15 -10.13 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.295 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 70' ' ' GLU . 32.9 t80 -59.68 -42.62 93.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.824 -0.806 . . . . 1.0 108.824 177.608 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.81 -41.87 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 1.0 109.133 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.28 -38.17 87.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.086 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.82 -48.7 80.63 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.647 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.35 -37.57 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.078 -0.649 . . . . 1.0 109.569 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 t -60.66 -43.74 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.301 -0.863 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.24 -64.32 1.15 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.061 0.458 . . . . 1.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 t -81.73 166.82 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.05 42.81 1.94 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -71.84 -167.55 0.29 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.513 0.673 . . . . 1.0 111.023 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 m -71.78 143.68 49.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.787 -1.097 . . . . 1.0 110.632 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -63.29 -43.67 97.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.61 -0.723 . . . . 1.0 109.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -65.26 -39.45 92.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.087 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.233 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.91 -42.79 99.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.823 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.716 ' C ' HD12 ' A' ' 87' ' ' LEU . 3.7 pp -81.96 -8.05 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.661 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.511 ' N ' HD12 ' A' ' 87' ' ' LEU . 29.6 t -70.03 -34.51 73.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 1.0 110.8 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.88 -41.01 4.61 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.992 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -65.86 -36.3 83.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 1.0 111.727 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 93' ' ' SER . 30.0 t -53.35 125.7 18.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 122.438 1.113 . . . . 1.0 111.321 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.13 -5.19 41.28 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 112.979 -1.919 . . . . 1.0 109.573 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.485 ' HB2' ' H ' ' A' ' 67' ' ' VAL . 47.8 m -134.26 150.93 51.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.3 p -102.75 0.42 32.87 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.843 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.582 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 9.2 p90 -103.25 165.6 10.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.549 0.214 . . . . 1.0 110.694 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.65 67.93 0.08 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.428 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 56.98 62.46 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.441 . . . . 1.0 110.427 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.2 -32.12 73.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.823 0.82 . . . . 1.0 110.5 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 m -121.03 129.11 76.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-N 114.017 -1.447 . . . . 1.0 109.865 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -107.77 -22.22 12.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.801 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -145.92 64.61 1.23 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.026 0.441 . . . . 1.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -139.52 138.74 36.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.738 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -100.01 105.81 17.53 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.722 0.296 . . . . 1.0 110.507 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -112.24 -5.86 14.14 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -71.72 166.13 22.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.586 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.158 -0.925 . . . . 1.0 110.545 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.724 -0.472 . . . . 1.0 109.724 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 64.4 mttm 50.25 49.97 8.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.424 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 57.3 Cg_endo -68.63 -38.05 11.42 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 121.849 1.699 . . . . 1.0 112.848 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.864 HD12 HD12 ' A' ' 29' ' ' LEU . 83.9 mt -109.96 -9.61 14.76 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -63.83 -19.78 65.3 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.701 0.63 . . . . 1.0 112.701 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -100.37 12.74 36.49 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.721 0.296 . . . . 1.0 111.395 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 ptm -151.99 156.37 39.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 1.0 111.704 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.36 150.1 22.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.57 HD11 HD13 ' A' ' 4' ' ' LEU . 90.3 mt -118.6 141.3 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.124 0.488 . . . . 1.0 111.71 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -116.29 133.33 56.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.153 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 p -104.72 118.24 36.08 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.91 -42.08 99.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.034 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.68 -91.67 0.09 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -66.99 133.32 49.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.086 0.469 . . . . 1.0 111.255 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD11 ' CD ' ' A' ' 70' ' ' GLU . 40.5 tp -119.75 133.76 55.49 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.671 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 t -61.69 -79.84 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.65 0.611 . . . . 1.0 112.65 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -58.54 179.62 0.08 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.085 0.469 . . . . 1.0 112.003 -178.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -70.47 151.59 44.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.443 -0.799 . . . . 1.0 111.687 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -62.11 -48.08 81.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.955 -1.02 . . . . 1.0 110.87 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.51 -40.85 98.08 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.04 -0.664 . . . . 1.0 110.766 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -69.12 -38.58 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 1.0 111.106 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 -56.79 10.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.18 -41.46 99.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.385 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.73 79.72 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.644 -0.422 . . . . 1.0 111.387 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 25' ' ' MET . 2.2 ppp? -68.73 -40.28 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.312 -0.555 . . . . 1.0 112.038 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.2 -44.24 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.928 0.344 . . . . 1.0 111.928 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.77 -28.51 65.82 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.826 -0.349 . . . . 1.0 111.295 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.52 -44.85 95.36 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.937 0.399 . . . . 1.0 111.056 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.864 HD12 HD12 ' A' ' 4' ' ' LEU . 51.7 mt -64.02 -38.42 91.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.209 1.004 . . . . 1.0 108.893 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.15 -1.61 9.04 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 107.211 -2.356 . . . . 1.0 107.211 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.2 152.59 43.72 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -134.37 154.28 51.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.593 0.711 . . . . 1.0 111.674 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' OG1' ' A' ' 34' ' ' THR . 15.9 mt -120.17 113.33 20.29 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.938 -1.028 . . . . 1.0 110.518 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 m -174.75 154.12 1.89 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.878 0.37 . . . . 1.0 110.878 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.34 15.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.021 -0.536 . . . . 1.0 112.451 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m -82.3 -42.82 18.3 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.424 -0.388 . . . . 1.0 111.526 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' ' 63' ' ' ALA . . . -169.78 152.49 4.55 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.295 0.569 . . . . 1.0 111.136 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 9.6 t-20 56.69 -2.21 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.036 -0.984 . . . . 1.0 112.486 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 37' ' ' ALA . 97.9 mttt -88.95 -12.08 42.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.311 0.577 . . . . 1.0 109.788 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.15 177.35 4.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.03 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.52 ' C ' HD12 ' A' ' 42' ' ' LEU . 7.3 t -109.34 -54.83 2.49 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 41' ' ' SER . 9.0 mp -116.36 120.43 38.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.692 -0.685 . . . . 1.0 109.644 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.43 138.92 31.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -90.49 111.42 23.44 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-O 121.484 0.659 . . . . 1.0 110.524 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 t -165.94 131.18 2.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.639 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 p -82.97 167.99 17.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.89 -38.89 79.89 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.455 -0.498 . . . . 1.0 109.661 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.72 -43.1 85.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 78.9 mm-40 -65.53 -37.95 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.49 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.0 -43.17 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.421 0.629 . . . . 1.0 110.282 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -55.66 -17.61 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.54 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 73.4 mmtt -62.88 -42.53 99.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.495 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.5 mmt 53.18 45.01 29.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.453 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 t -86.38 178.4 7.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.29 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.457 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -60.48 -41.15 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.029 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -63.59 -39.3 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.541 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -58.59 -32.02 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.1 -43.34 87.54 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.312 -0.555 . . . . 1.0 109.82 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.45 -45.06 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 122.066 0.936 . . . . 1.0 108.476 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.7 -46.88 87.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 113.897 -1.501 . . . . 1.0 111.934 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.35 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 1.0 110.007 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -87.74 -6.59 58.11 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.0 109.828 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 100' ' ' LYS . 10.7 m120 56.55 53.88 8.06 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.341 -0.845 . . . . 1.0 111.318 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 65.6 t -124.64 125.46 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.3 ttm-85 -63.09 147.94 49.32 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.529 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.95 130.59 70.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.032 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 m -134.13 160.28 41.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.25 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.2 t -74.64 152.57 39.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.846 -0.798 . . . . 1.0 108.846 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.489 ' C ' ' N ' ' A' ' 72' ' ' PHE . 76.5 tt0 -64.77 -32.71 74.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.46 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.92 -16.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.489 ' N ' ' C ' ' A' ' 70' ' ' GLU . 26.8 t80 -58.3 -39.9 80.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.175 -0.921 . . . . 1.0 109.549 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.72 -42.29 88.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.765 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -69.56 -34.96 74.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.401 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.533 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.2 m-20 -62.61 -49.74 74.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.405 -0.816 . . . . 1.0 112.403 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 5.9 m -66.12 -39.44 84.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.694 -0.802 . . . . 1.0 109.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.7 m -62.33 -40.95 98.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.83 -67.13 0.86 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.823 0.344 . . . . 1.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 t -60.84 -46.54 90.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.98 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 76' ' ' VAL . . . 44.52 42.47 5.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -85.67 -160.78 0.55 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.553 0.692 . . . . 1.0 110.354 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 m -62.48 142.66 57.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.801 -1.09 . . . . 1.0 109.398 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.22 -44.42 95.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.976 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -62.38 -41.95 99.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.131 -0.941 . . . . 1.0 112.113 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -65.51 -38.18 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.854 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.94 -42.11 97.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.037 0.384 . . . . 1.0 112.037 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 87' ' ' LEU . 4.2 pp -82.81 -11.58 58.14 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 119.859 -0.737 . . . . 1.0 110.996 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.3 m -62.39 -40.63 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.819 0.342 . . . . 1.0 110.362 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.79 -41.02 6.32 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 35.5 m-70 -65.45 -41.65 93.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.755 -178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 m -40.37 110.25 0.14 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.167 0.984 . . . . 1.0 111.91 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.8 mt -91.31 -1.82 57.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 113.65 -1.614 . . . . 1.0 109.101 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.6 p -139.77 163.62 32.13 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.149 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -121.44 36.72 4.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.57 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.3 p90 -139.54 166.28 25.0 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 149.41 58.59 0.01 OUTLIER Glycine 0 N--CA 1.465 0.574 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 74.79 66.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 1.0 111.734 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' VAL . 15.6 pt-20 -153.97 161.81 41.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.164 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' GLU . 27.4 m -30.1 133.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 121.854 0.835 . . . . 1.0 111.638 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 97.0 mttt -111.88 163.53 14.1 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.383 -1.281 . . . . 1.0 110.154 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.473 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 2.7 p80 -70.14 45.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.038 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.427 ' H ' ' C ' ' A' ' 100' ' ' LYS . 35.6 t-80 -73.22 110.55 7.6 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.426 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -165.35 8.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -79.55 139.75 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.865 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -81.07 -19.05 44.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.206 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.736 -1.126 . . . . 1.0 110.635 -179.801 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.7 mtm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 55.78 63.07 6.54 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.052 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.75 -52.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.57 2.18 . . . . 1.0 112.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.005 HD12 HD12 ' A' ' 29' ' ' LEU . 89.9 mt -98.99 2.33 46.25 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.983 -178.614 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -68.36 -31.37 70.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.39 0.515 . . . . 1.0 112.39 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -95.99 10.97 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.154 0.427 . . . . 1.0 112.154 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.1 ptm -150.43 168.94 22.67 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.289 -0.564 . . . . 1.0 112.117 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -99.37 166.61 11.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.505 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.713 HD11 HD22 ' A' ' 4' ' ' LEU . 35.9 mm -137.34 149.55 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.596 -0.729 . . . . 1.0 112.255 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.61 142.84 43.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.975 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -113.71 129.46 56.57 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.774 0.321 . . . . 1.0 110.725 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.3 tp -122.79 130.46 52.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.397 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.01 -142.07 45.81 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.593 -0.603 . . . . 1.0 111.593 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -120.9 155.23 34.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.906 0.384 . . . . 1.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -136.09 -176.14 4.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.244 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 t -59.34 -44.18 92.68 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.455 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' OE2' ' A' ' 70' ' ' GLU . 24.7 mt-30 -64.58 160.62 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.818 -0.808 . . . . 1.0 108.818 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -70.7 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.591 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -171.31 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.176 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.1 -41.31 97.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.4 pt-20 -67.35 -41.61 84.9 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.547 -0.751 . . . . 1.0 111.136 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.591 -0.731 . . . . 1.0 109.61 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.07 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.753 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.0 OUTLIER -67.07 -40.92 87.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.196 179.558 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.99 -43.8 99.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 1.0 110.366 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -59.19 -43.17 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.005 HD12 HD12 ' A' ' 4' ' ' LEU . 34.2 mt -63.08 -40.06 96.54 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.808 0.813 . . . . 1.0 109.61 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.78 -2.62 6.03 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 107.535 -2.226 . . . . 1.0 107.535 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.78 147.99 51.18 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.559 -1.017 . . . . 1.0 110.559 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -122.59 153.5 39.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.985 0.421 . . . . 1.0 110.489 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -97.24 125.08 41.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.768 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.1 m -125.31 132.06 52.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.28 -138.66 0.26 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.2 p 45.91 -126.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.607 -0.349 . . . . 1.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.67 -73.48 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.582 -0.447 . . . . 1.0 111.734 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 21.1 t-20 -59.69 -28.01 66.92 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.89 0.329 . . . . 1.0 111.89 -178.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.36 -35.87 72.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.35 160.3 31.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.412 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.8 p -103.62 -49.64 3.63 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.61 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -129.37 120.94 26.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.428 -178.682 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.57 ' N ' HD13 ' A' ' 42' ' ' LEU . 95.9 m -90.1 144.6 25.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 1.0 108.887 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.95 114.45 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.14 0.495 . . . . 1.0 110.12 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -157.25 149.19 22.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.037 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -93.06 166.09 12.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -37.5 83.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.73 -0.841 . . . . 1.0 108.73 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.62 -11.14 6.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 1.0 110.273 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -106.15 -36.2 6.98 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.097 0.475 . . . . 1.0 109.905 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.56 -42.13 89.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.183 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.74 -26.3 65.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.237 0.541 . . . . 1.0 110.394 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.26 -42.9 99.21 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.475 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.6 mmt 54.72 46.88 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.013 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 178.88 4.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.355 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.63 -40.93 96.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.508 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -60.33 -41.52 93.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.6 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -58.93 -36.28 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.362 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -60.12 -45.12 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.98 -45.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.4 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.82 -44.81 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.873 -0.603 . . . . 1.0 111.327 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.62 -13.51 60.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.531 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -91.75 -1.87 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.41 ' HB3' ' H ' ' A' ' 97' ' ' ALA . 73.1 m-20 57.41 56.09 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.197 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 ' SG ' ' A' ' 43' ' ' CYS . 61.7 t -124.52 122.66 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -68.89 152.33 45.42 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.216 -0.594 . . . . 1.0 109.692 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.48 134.94 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.936 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' N ' HD11 ' A' ' 42' ' ' LEU . 1.8 p -133.38 158.97 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.63 156.09 37.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.487 0.661 . . . . 1.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 17' ' ' GLN . 85.7 tt0 -61.33 -43.79 98.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.123 -0.944 . . . . 1.0 111.104 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -48.31 -17.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.089 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' N ' ' C ' ' A' ' 70' ' ' GLU . 46.7 t80 -59.23 -42.92 92.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.342 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.76 -42.08 88.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -67.34 -38.78 85.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.32 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' SER . 99.0 m-20 -62.58 -49.57 74.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 1.0 112.071 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 72' ' ' PHE . 22.3 m -66.74 -39.88 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 119.362 -0.935 . . . . 1.0 109.734 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.7 98.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.94 -69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.609 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 75' ' ' ASP . 27.3 m -71.74 141.34 49.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -136.45 68.09 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.885 0.374 . . . . 1.0 110.951 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -112.73 -148.27 0.43 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.884 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.8 t -65.02 129.59 40.26 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.433 0.635 . . . . 1.0 111.579 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.307 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 84' ' ' GLN . 5.8 mp0 -63.26 -41.22 99.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.671 -1.604 . . . . 1.0 111.014 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -66.49 -38.43 87.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.9 mt -62.98 -44.1 96.98 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.775 -0.37 . . . . 1.0 111.257 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.81 -9.1 58.49 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.425 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.1 t -63.47 -42.95 98.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.079 0.466 . . . . 1.0 110.353 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.4 -43.66 5.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.896 -0.593 . . . . 1.0 112.101 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.5 m170 -58.87 -41.35 86.86 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.929 -0.309 . . . . 1.0 111.313 -178.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -56.4 100.87 0.05 OUTLIER 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.925 0.869 . . . . 1.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.92 -35.18 79.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 114.069 -1.423 . . . . 1.0 108.789 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.0 p -90.66 168.11 12.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.344 0.593 . . . . 1.0 112.097 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -129.22 32.85 4.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.082 -0.963 . . . . 1.0 109.353 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.554 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 8.3 p90 -139.03 165.67 26.52 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.562 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 146.27 67.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.358 0 N-CA-C 109.959 -1.256 . . . . 1.0 109.959 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 102.38 45.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.839 0.856 . . . . 1.0 109.269 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 99' ' ' VAL . 5.5 tp10 -88.61 -167.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.169 -0.923 . . . . 1.0 109.892 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.405 ' H ' ' HG3' ' A' ' 98' ' ' GLU . 18.5 m -66.65 146.7 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.153 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 101' ' ' HIS . 7.0 ptpt -118.48 126.41 51.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.523 . . . . 1.0 111.101 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LYS . 47.1 m80 28.85 45.93 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.277 -0.874 . . . . 1.0 111.736 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.598 ' CD2' ' ND1' ' A' ' 103' ' ' HIS . 75.2 t60 -63.09 -48.42 78.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.627 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.598 ' ND1' ' CD2' ' A' ' 102' ' ' HIS . 20.2 m80 -153.68 159.29 41.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.142 0.496 . . . . 1.0 111.324 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.473 ' NE2' ' CE1' ' A' ' 105' ' ' HIS . 0.5 OUTLIER 57.46 -107.7 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.253 -0.885 . . . . 1.0 112.112 178.655 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.473 ' CE1' ' NE2' ' A' ' 104' ' ' HIS . 0.0 OUTLIER -150.07 167.32 27.13 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.963 0.411 . . . . 1.0 110.899 -178.751 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' HIS . . . . . 0.428 ' OXT' ' O ' ' A' ' 105' ' ' HIS . 8.5 p80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.934 -1.032 . . . . 1.0 110.333 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' LYS . 67.7 mtt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 27.12 62.97 0.59 Allowed Pre-proline 0 N--CA 1.475 0.795 0 O-C-N 123.858 0.724 . . . . 1.0 111.773 -179.272 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.65 -57.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.729 2.286 . . . . 1.0 114.012 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.88 -3.87 51.01 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.255 0.465 . . . . 1.0 112.255 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -67.56 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.323 0.86 . . . . 1.0 113.323 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -107.8 23.42 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.7 ptm -159.69 159.98 33.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.774 -0.77 . . . . 1.0 112.429 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -97.72 155.11 17.16 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.485 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mm -132.69 135.09 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.1 130.16 56.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.747 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 p -95.94 132.13 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.234 -1.024 . . . . 1.0 108.234 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' ' 56' ' ' LYS . 19.3 tp -107.47 122.46 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.58 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 33.17 -127.66 0.35 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.765 -0.534 . . . . 1.0 111.765 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -82.49 150.12 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.998 0.428 . . . . 1.0 110.906 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER -139.9 169.82 17.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.419 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 17' ' ' GLN . 73.2 m -60.12 -42.53 94.97 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.983 0.364 . . . . 1.0 111.983 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 35.6 mm-40 -58.38 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.393 0.616 . . . . 1.0 109.733 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -110.27 -78.24 0.59 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.265 -0.879 . . . . 1.0 109.749 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -179.07 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.342 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -89.05 -21.67 23.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.101 -0.704 . . . . 1.0 109.101 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.33 -10.32 52.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.833 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.44 -61.44 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.851 0.358 . . . . 1.0 110.747 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -40.38 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.39 96.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.235 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -39.86 82.65 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.463 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.72 -43.39 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.738 0.304 . . . . 1.0 111.105 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.71 -31.58 71.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.018 0.437 . . . . 1.0 110.383 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -60.21 -43.93 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.138 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.53 -41.26 98.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 122.544 1.164 . . . . 1.0 109.15 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.62 -2.74 3.8 Favored Glycine 0 C--N 1.317 -0.493 0 N-CA-C 108.093 -2.003 . . . . 1.0 108.093 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.5 157.14 29.72 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -133.51 157.91 44.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.045 0.926 . . . . 1.0 111.676 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.57 129.99 56.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 113.999 -1.455 . . . . 1.0 110.165 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -130.65 158.32 40.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.819 0.343 . . . . 1.0 110.347 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.18 -171.79 48.16 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.45 -0.66 . . . . 1.0 111.45 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.02 -163.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 1.0 110.756 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -135.78 161.51 35.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.652 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 8.1 t-20 71.51 -25.2 0.17 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 37' ' ' ALA . 87.2 tttt -66.06 -34.18 77.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.87 173.33 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.536 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -103.32 -66.22 0.95 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.212 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.29 123.2 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.2 t -85.04 143.77 28.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.649 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.64 110.01 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 121.369 0.604 . . . . 1.0 111.116 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -159.04 150.0 20.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.67 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 p -93.95 164.75 12.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -36.77 81.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.781 -0.367 . . . . 1.0 110.118 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.86 -40.25 83.77 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -39.5 93.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.561 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.39 -43.17 98.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.125 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.4 -31.84 46.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.113 0.483 . . . . 1.0 111.593 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.31 -39.2 93.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.586 -0.733 . . . . 1.0 110.952 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.5 mmt 56.75 46.45 19.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.543 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 55' ' ' LYS . 35.9 t -77.79 -171.05 2.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OG ' ' A' ' 54' ' ' SER . 98.7 mttt -61.51 -39.49 91.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.059 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HB3' HD11 ' A' ' 12' ' ' LEU . 45.9 mmtm -60.67 -42.55 97.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.414 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 mmm -61.97 -40.23 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 1.0 110.633 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.58 -38.17 74.4 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.433 -0.507 . . . . 1.0 111.252 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.63 -44.05 78.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.902 -0.719 . . . . 1.0 110.835 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.34 -47.99 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 1.0 110.953 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.25 -43.7 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.987 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.02 -6.95 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.177 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.23 51.6 8.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.39 0.614 . . . . 1.0 110.005 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.565 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.6 t -117.88 125.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.87 156.49 27.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.817 -0.808 . . . . 1.0 108.817 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.446 ' H ' ' HB3' ' A' ' 93' ' ' SER . 70.2 t -117.28 129.25 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.885 0.374 . . . . 1.0 110.548 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.3 t -129.05 133.64 65.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.517 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 4.8 t -71.76 163.29 28.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.05 0.452 . . . . 1.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.62 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 57.0 mp0 -59.81 -40.56 88.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.866 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -42.65 -23.6 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.268 0.556 . . . . 1.0 110.427 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLU . 35.1 t80 -61.14 -41.96 97.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.968 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.1 -40.31 93.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.197 -0.668 . . . . 1.0 109.197 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.562 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.9 m-20 -63.15 -47.81 81.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 1.0 112.547 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.2 m -67.96 -38.9 80.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.768 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -63.34 -41.68 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.544 -0.753 . . . . 1.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.28 -67.95 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.166 0.507 . . . . 1.0 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' ASP . 10.3 p -70.01 147.05 50.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.461 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.54 7.55 46.26 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.186 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -50.67 156.28 0.96 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.129 -0.941 . . . . 1.0 112.252 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -71.46 152.12 43.36 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.645 -1.616 . . . . 1.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.84 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.871 -1.059 . . . . 1.0 111.529 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -60.26 -43.11 96.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.569 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 85' ' ' GLU . 42.6 mp0 -67.53 -40.48 85.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.402 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.47 -44.16 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 91' ' ' SER . 3.8 pp -78.29 -22.56 48.05 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.655 -0.418 . . . . 1.0 110.85 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.3 m -60.89 -42.82 98.72 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.777 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.0 -45.41 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.167 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.562 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 74.3 m-70 -67.08 -38.91 86.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 3.9 p -34.81 108.89 0.07 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.752 0.787 . . . . 1.0 112.299 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 69' ' ' CYS . 87.6 mt -91.71 -2.44 57.0 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.212 -1.358 . . . . 1.0 109.921 178.391 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.562 ' OG ' ' CD2' ' A' ' 95' ' ' TRP . 26.8 t -132.88 148.78 52.29 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.301 0.572 . . . . 1.0 112.147 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.9 m -102.98 22.65 13.55 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.61 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.565 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 4.6 p90 -137.03 166.13 24.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.022 0.439 . . . . 1.0 110.937 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.643 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 155.98 54.69 0.01 OUTLIER Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.259 -0.736 . . . . 1.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 84.06 42.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.681 0.276 . . . . 1.0 110.665 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -165.35 139.93 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 1.0 111.179 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 102' ' ' HIS . 15.9 m -139.59 52.47 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.07 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.515 ' HD2' ' H ' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -62.12 -47.17 85.76 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.967 0.358 . . . . 1.0 111.967 -179.071 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.515 ' H ' ' HD2' ' A' ' 100' ' ' LYS . 66.0 t-80 -66.77 -42.37 86.22 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.015 0.376 . . . . 1.0 112.015 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 99' ' ' VAL . 97.0 m-70 -104.31 145.29 30.45 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.063 0.458 . . . . 1.0 111.934 -178.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -141.79 -46.52 0.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.702 -0.681 . . . . 1.0 109.993 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -84.25 165.51 18.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.506 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -112.92 147.98 35.94 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.136 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.934 -1.031 . . . . 1.0 110.774 179.398 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -140.73 64.03 21.49 Favored Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.712 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 83.1 Cg_endo -79.01 -60.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.276 1.984 . . . . 1.0 112.158 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.8 mp -95.93 1.32 52.81 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.396 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -78.02 -6.92 56.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.312 . . . . 1.0 110.977 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -116.5 19.43 14.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.201 -0.454 . . . . 1.0 112.061 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 ptm -162.08 174.64 12.71 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 119.583 -0.847 . . . . 1.0 112.167 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -102.96 153.82 19.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.234 -0.894 . . . . 1.0 108.851 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mm -129.02 134.64 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.07 0.462 . . . . 1.0 111.867 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 tt -112.13 132.05 55.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.577 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p -103.59 123.33 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.734 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -62.01 -43.13 99.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.155 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.73 -123.69 1.19 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.67 134.58 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 110.24 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.74 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -139.55 -169.83 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.402 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -61.79 -44.55 96.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.782 -0.367 . . . . 1.0 111.815 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.476 ' N ' ' OE2' ' A' ' 70' ' ' GLU . 37.0 mt-30 -74.57 139.11 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 1.0 110.142 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -63.53 165.41 8.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.46 0.648 . . . . 1.0 110.512 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.92 -46.69 87.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.053 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.61 -41.56 68.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.214 0.53 . . . . 1.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -71.15 -45.01 64.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.251 0.834 . . . . 1.0 113.251 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.22 89.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 1.0 110.505 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -62.77 -42.19 99.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.533 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.02 98.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.326 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.428 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.2 tpp -65.73 -46.01 80.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.847 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.99 -44.54 99.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.045 0.45 . . . . 1.0 110.876 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.84 -32.92 70.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.383 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.56 -47.32 85.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.325 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 29' ' ' LEU . 8.4 mt -63.66 -40.32 96.54 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.022 0.915 . . . . 1.0 108.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.41 -1.11 3.62 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.083 -1.607 . . . . 1.0 109.083 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.08 146.98 47.57 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.218 -0.515 . . . . 1.0 111.885 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -127.55 149.02 50.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.056 -0.572 . . . . 1.0 110.448 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 34' ' ' THR . 94.0 mt -103.84 121.54 43.27 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.979 -0.748 . . . . 1.0 108.979 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 35' ' ' GLY . 1.3 m 175.61 161.02 0.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' N ' ' CG2' ' A' ' 34' ' ' THR . . . 109.44 133.23 6.66 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.435 -0.666 . . . . 1.0 111.435 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.6 m -61.12 -43.01 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 1.0 110.294 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -170.47 -79.29 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 22.3 t-20 -63.45 -32.11 73.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.981 0.363 . . . . 1.0 111.981 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -51.81 -33.39 35.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.5 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.217 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.8 t -95.5 -68.47 0.8 Allowed 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.819 -0.753 . . . . 1.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD22 ' HE ' ' A' ' 66' ' ' ARG . 83.0 mt -125.77 116.83 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.368 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.7 t -77.23 142.32 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.01 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.64 107.94 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.644 0.735 . . . . 1.0 110.263 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -151.72 134.97 15.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.961 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.3 p -87.65 166.56 14.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 1.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 16.4 tppt? -55.46 -41.29 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.737 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -54.76 -43.57 72.85 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.373 0.421 . . . . 1.0 110.509 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.5 -37.48 86.91 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.697 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.86 -23.44 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.922 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' LYS . 93.1 mt-10 -67.31 -36.4 81.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.772 0.796 . . . . 1.0 109.498 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -62.7 -42.62 99.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.186 -1.37 . . . . 1.0 112.867 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.68 44.85 28.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -72.82 175.94 6.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.744 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.97 85.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.144 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -61.49 -40.32 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -61.03 -39.1 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.86 -36.84 82.43 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.101 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.95 -45.01 94.46 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -63.89 -44.44 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.356 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.43 -45.83 92.24 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.09 67.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.74 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.558 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -87.16 -4.74 59.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.773 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 m-20 55.75 55.59 6.95 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.589 179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.615 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.5 t -118.84 123.54 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.97 -0.381 . . . . 1.0 109.97 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HE ' HD22 ' A' ' 42' ' ' LEU . 57.5 ttp180 -59.2 158.11 9.51 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 91' ' ' SER . 50.9 t -114.66 133.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.927 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -122.69 133.33 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.0 t -71.89 154.05 41.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.176 0.512 . . . . 1.0 110.395 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 17' ' ' GLN . 84.7 tt0 -60.78 -34.99 75.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.147 -0.933 . . . . 1.0 111.859 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.77 -15.94 35.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.46 -42.09 95.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.27 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.83 -43.42 90.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.717 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 6.7 mt-30 -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.653 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.547 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 87.7 m-20 -63.21 -48.34 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.53 -42.75 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.721 -0.791 . . . . 1.0 109.797 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 p -64.33 -44.71 90.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.18 -49.02 38.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 1.0 111.052 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -122.14 136.32 54.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.951 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.03 66.83 0.73 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.801 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -92.88 -158.49 0.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.855 0.836 . . . . 1.0 110.662 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.6 m -76.41 139.4 40.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.962 -1.472 . . . . 1.0 110.983 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.9 tp -63.7 -43.02 97.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 1.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -62.23 -40.56 96.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.922 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -66.68 -41.93 87.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.113 -0.635 . . . . 1.0 110.684 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.15 -42.01 99.38 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 87' ' ' LEU . 3.2 pp -80.31 -4.58 53.95 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.083 -0.247 . . . . 1.0 110.831 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.5 p -64.01 -34.62 78.42 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.25 -37.08 3.11 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.635 0.606 . . . . 1.0 112.635 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.547 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 45.1 m-70 -66.47 -29.37 69.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.752 0.311 . . . . 1.0 111.331 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.645 ' C ' ' H ' ' A' ' 93' ' ' SER . 77.8 p -61.84 -24.56 66.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.926 0.713 . . . . 1.0 112.926 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 93' ' ' SER . 73.2 mt 70.74 -24.65 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.645 ' H ' ' C ' ' A' ' 91' ' ' SER . 26.2 t 52.96 123.22 0.0 OUTLIER 'General case' 0 C--N 1.341 0.212 0 CA-C-N 115.656 -0.702 . . . . 1.0 112.151 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB3' ' CE3' ' A' ' 95' ' ' TRP . 4.6 t -166.69 -56.27 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.101 -0.954 . . . . 1.0 110.405 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.615 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 42.9 p90 -151.83 -164.88 2.08 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.1 54.1 0.1 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.273 -0.731 . . . . 1.0 111.273 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 55.1 59.87 3.76 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 59.4 -172.82 0.11 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.441 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.7 m -134.32 162.32 39.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.071 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -60.52 -87.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.754 -0.657 . . . . 1.0 111.821 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -127.71 -1.07 6.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.825 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -71.78 135.88 46.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.173 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 77.5 t60 39.38 90.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.719 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 105' ' ' HIS . 98.3 m-70 -59.67 113.5 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.18 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 104' ' ' HIS . 75.7 m80 27.62 -93.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.692 -0.685 . . . . 1.0 111.774 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 72.6 m80 . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.375 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtp . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.086 0.469 . . . . 1.0 110.172 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 49.51 62.41 12.08 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.235 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.72 -53.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.506 2.137 . . . . 1.0 113.867 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 9' ' ' ILE . 4.2 mm? -96.34 1.32 51.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.574 0.213 . . . . 1.0 111.574 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 6.5 m -78.56 128.11 33.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.744 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' SER . 12.3 m120 95.22 18.97 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.245 0.966 . . . . 1.0 110.423 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 4' ' ' LEU . 24.5 ptm -150.85 153.75 35.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.551 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' O ' ' OG ' ' A' ' 41' ' ' SER . 12.7 mptt -100.2 160.4 14.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.38 0.61 . . . . 1.0 110.128 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 4' ' ' LEU . 88.8 mt -129.14 151.56 35.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.409 -178.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -136.15 137.45 40.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.763 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.6 p -104.2 115.84 31.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.52 -0.918 . . . . 1.0 108.52 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 56' ' ' LYS . 42.7 tp -82.47 -77.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 1.0 111.202 -178.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.7 -154.2 30.01 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.226 -0.511 . . . . 1.0 111.946 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -56.2 147.59 20.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -0.599 . . . . 1.0 111.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -106.92 127.34 53.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.87 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.0 m -62.33 -43.78 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.488 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 7.4 mt-30 -68.68 170.08 10.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.419 -0.81 . . . . 1.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -77.01 -147.54 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.176 -0.61 . . . . 1.0 109.426 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD3' ' HZ1' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -105.42 -58.79 1.85 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.845 0.355 . . . . 1.0 110.543 -179.263 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.86 -36.77 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.098 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -70.16 -45.84 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -177.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 17' ' ' GLN . . . -60.93 -46.26 91.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.868 -0.733 . . . . 1.0 109.696 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HZ1' ' HD3' ' A' ' 19' ' ' LYS . 98.1 mttt -63.11 -43.39 98.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.186 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.63 95.73 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.499 -0.481 . . . . 1.0 110.653 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -42.08 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.532 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.28 -44.38 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.628 -0.429 . . . . 1.0 112.132 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.03 -33.66 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.43 -0.508 . . . . 1.0 112.308 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.26 -43.65 95.97 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.596 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -63.48 -41.88 98.58 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.309 1.052 . . . . 1.0 109.446 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.57 -7.52 4.59 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.94 -2.064 . . . . 1.0 107.94 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 149.0 42.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -132.54 151.52 51.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.862 0.363 . . . . 1.0 110.448 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.18 119.72 39.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.34 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 35' ' ' GLY . 1.8 t 173.87 173.9 0.16 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' N ' ' OG1' ' A' ' 34' ' ' THR . . . 103.41 141.67 11.49 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.147 -0.479 . . . . 1.0 112.355 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -41.71 61.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.107 0.48 . . . . 1.0 110.154 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.78 -80.25 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.345 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 20.0 t-20 -63.68 -28.92 70.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.72 -35.74 68.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.55 161.38 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 89.2 p -98.37 -61.38 1.39 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 119.992 -0.683 . . . . 1.0 109.772 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.94 116.76 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.008 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 44' ' ' ILE . 2.8 t -82.01 154.94 25.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.452 -0.795 . . . . 1.0 110.264 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 46.9 mm -100.36 113.47 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 121.172 0.511 . . . . 1.0 110.577 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.9 m -159.45 159.53 33.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.783 . . . . 1.0 110.277 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -122.57 172.9 8.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.447 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.586 ' HG2' HD22 ' A' ' 92' ' ' LEU . 26.0 mmtt -57.06 -42.21 80.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.188 0.518 . . . . 1.0 109.64 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.93 -9.54 0.13 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.501 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 47' ' ' LYS . 94.6 mt-10 -113.77 -42.89 3.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.149 0.499 . . . . 1.0 110.211 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.41 -42.35 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.711 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.95 -31.48 60.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.718 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -65.03 -38.44 90.89 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.78 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.5 mmt 58.26 50.51 9.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.189 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 p -81.26 177.35 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.992 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.51 -37.27 80.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.793 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 12' ' ' LEU . 75.6 mmtt -59.28 -42.56 91.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.898 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.3 -38.67 92.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.368 0.604 . . . . 1.0 109.695 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -38.01 81.74 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.019 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.54 -46.11 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.77 0.319 . . . . 1.0 110.329 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.11 -44.87 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.22 -0.659 . . . . 1.0 109.22 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.99 -45.13 94.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 111.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.64 60.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.0 109.797 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.95 0.15 55.92 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.506 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 70.2 m-20 56.49 54.01 7.98 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.565 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.561 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 72.8 t -124.56 115.82 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.828 0.347 . . . . 1.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -62.84 158.05 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' SER . 47.8 t -116.44 134.49 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.816 0.341 . . . . 1.0 111.372 -177.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -127.18 132.25 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 151.33 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.177 0.513 . . . . 1.0 110.585 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' O ' ' OE1' ' A' ' 74' ' ' GLN . 59.4 mp0 -46.15 -26.76 0.82 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.871 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.3 -18.86 65.0 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.28 -43.91 96.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.594 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.3 mt -62.03 -43.11 99.53 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.152 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.403 ' OE1' ' O ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -72.37 -34.79 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.22 -179.336 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.47 -47.68 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.467 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.9 m -68.42 -38.35 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.396 0.617 . . . . 1.0 110.742 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.1 p -61.24 -40.03 92.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.533 -0.758 . . . . 1.0 110.808 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -66.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.811 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.478 ' OG ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 t -68.42 -38.37 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.712 -178.057 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 53.56 31.44 12.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 1.0 110.894 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.478 ' CD ' ' OG ' ' A' ' 79' ' ' SER . 47.3 mtpt -68.39 -175.08 0.59 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.963 0.887 . . . . 1.0 112.697 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 150.7 43.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.577 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.79 -41.1 99.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 1.0 110.902 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.14 -41.45 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.879 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.96 -41.92 86.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 1.0 110.97 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.25 -41.92 99.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.268 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 87' ' ' LEU . 4.0 pp -79.33 -5.13 53.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 1.0 110.564 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.441 ' N ' HD12 ' A' ' 87' ' ' LEU . 18.6 m -61.49 -40.49 94.75 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.07 -20.9 5.19 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.814 0.672 . . . . 1.0 112.814 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -87.92 -7.5 57.06 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 93' ' ' SER . 69.5 p -60.2 -30.15 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 1.0 112.194 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.586 HD22 ' HG2' ' A' ' 47' ' ' LYS . 81.8 mt 43.92 13.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.065 0.459 . . . . 1.0 110.774 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 91' ' ' SER . 4.0 t -154.41 171.72 18.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.634 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.426 ' N ' ' OG ' ' A' ' 93' ' ' SER . 19.7 m -134.13 28.99 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.739 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.561 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 24.4 p90 -141.4 167.45 22.13 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.04 59.13 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.184 -1.166 . . . . 1.0 110.184 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 98' ' ' GLU . . . 47.65 27.34 1.01 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.758 0.313 . . . . 1.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 97' ' ' ALA . 95.9 mt-10 44.36 -170.63 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.038 0.446 . . . . 1.0 110.975 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.7 t -107.41 92.78 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.524 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -110.74 2.19 18.29 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -62.19 -43.46 98.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -145.41 156.51 43.8 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.575 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 103' ' ' HIS . 25.9 t-80 48.97 41.83 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.442 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' H ' ' CD2' ' A' ' 104' ' ' HIS . 4.2 p80 -57.7 -43.55 85.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.899 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 45.2 m-70 -136.01 142.93 44.53 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.996 0.427 . . . . 1.0 110.724 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 33.7 p80 . . . . . 0 C--O 1.223 -0.335 0 CA-C-O 117.963 -1.017 . . . . 1.0 110.909 -179.756 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 66.5 mtt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.611 ' H ' ' CD ' ' A' ' 3' ' ' PRO . 18.0 tptt -171.55 -39.53 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.611 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 95.2 Cg_endo -89.1 -57.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.998 0 C-N-CA 121.446 1.43 . . . . 1.0 113.804 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 29' ' ' LEU . 90.4 mt -99.3 -2.63 35.98 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -65.04 -34.8 79.29 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -98.71 13.37 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.513 0.56 . . . . 1.0 112.513 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.51 158.74 44.32 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.302 -0.559 . . . . 1.0 111.942 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -104.23 153.42 21.01 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.2 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 mm -121.41 137.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.739 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -110.25 133.12 53.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -118.37 125.79 50.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.62 -0.263 . . . . 1.0 111.069 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' CD1' ' SG ' ' A' ' 43' ' ' CYS . 9.2 mp -62.25 -42.1 99.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.33 -68.17 0.27 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.93 130.77 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD11 ' OE2' ' A' ' 70' ' ' GLU . 23.3 tp -131.72 133.1 44.46 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -61.26 -44.6 96.97 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.873 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 5.4 mt-30 -57.42 172.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 34.8 m120 -74.26 -76.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.68 -178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 -63.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 1.0 109.967 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.68 -38.96 93.07 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.536 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 22' ' ' ALA . 20.8 pt-20 -68.91 -40.99 78.78 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.867 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 21' ' ' GLU . . . -59.44 -50.88 72.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.059 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.58 -43.84 97.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.978 -1.01 . . . . 1.0 111.266 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.54 74.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.877 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 ptm -67.87 -41.18 83.25 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 120.033 -0.667 . . . . 1.0 112.247 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.701 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.62 -30.65 59.59 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.3 -44.81 92.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.981 0.42 . . . . 1.0 110.628 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 4' ' ' LEU . 78.0 mt -62.74 -39.78 95.16 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 107.786 -1.191 . . . . 1.0 107.786 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.59 0.91 7.2 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 107.377 -2.289 . . . . 1.0 107.377 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.85 154.32 36.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -139.03 153.29 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.109 -0.33 . . . . 1.0 110.109 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -95.57 125.75 40.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.352 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 119.46 34.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.136 0.493 . . . . 1.0 110.754 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -37.4 85.86 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.765 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 m -64.28 142.41 58.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.556 0.217 . . . . 1.0 110.653 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -91.69 157.2 17.08 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.364 -0.38 . . . . 1.0 109.996 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 7.6 t-20 72.72 -35.93 0.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.359 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 37' ' ' ALA . 65.4 tttm -64.78 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.381 0.61 . . . . 1.0 109.48 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.73 176.74 2.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.277 -0.874 . . . . 1.0 110.262 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.7 m -106.84 -68.08 0.91 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.49 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.05 120.94 38.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 1.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 12' ' ' LEU . 5.4 t -80.05 151.87 29.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.723 -1.126 . . . . 1.0 110.069 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 11.7 mm -102.23 108.9 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 8.1 t -158.72 136.21 10.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.771 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -90.6 167.2 12.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.322 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 92' ' ' LEU . 18.8 mmtt -56.03 -39.92 72.69 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.161 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 32.5 mtmm -55.96 -42.87 76.89 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.371 -0.932 . . . . 1.0 109.098 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -71.04 -43.55 67.61 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.67 -42.45 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.914 0.387 . . . . 1.0 110.555 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.23 -33.35 63.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 53.6 mttt -64.79 -38.41 90.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.574 0.226 . . . . 1.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.9 mmt 60.51 54.35 3.82 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.769 -0.65 . . . . 1.0 109.97 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -82.66 -176.34 6.22 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.292 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.92 -43.77 94.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.45 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.66 -41.12 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 1.0 110.233 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.148 -0.686 . . . . 1.0 109.148 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -39.19 78.78 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.333 -0.848 . . . . 1.0 109.558 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 3.7 mm-40 -65.87 -42.58 90.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.77 -47.98 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.185 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -63.52 -44.36 94.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 1.0 110.62 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.25 -10.84 59.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.971 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.538 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.57 -2.73 53.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.167 -0.309 . . . . 1.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 57.68 56.24 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.232 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.541 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 54.0 t -125.24 125.97 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.199 -0.667 . . . . 1.0 109.199 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -64.64 151.46 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.18 131.95 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.165 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.81 157.43 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 0.8 OUTLIER -79.27 155.38 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 179.758 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.535 ' OE2' HD11 ' A' ' 15' ' ' LEU . 79.7 tt0 -61.11 -34.17 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.857 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -49.42 -14.25 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.497 ' N ' ' C ' ' A' ' 70' ' ' GLU . 10.5 t80 -59.89 -41.03 90.7 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 1.0 108.916 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.421 ' CD2' HD11 ' A' ' 4' ' ' LEU . 93.4 mt -59.56 -42.07 91.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.036 -0.727 . . . . 1.0 109.036 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 30.7 mm100 -65.97 -39.11 90.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.194 0.521 . . . . 1.0 110.297 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.567 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.7 m-20 -62.14 -48.61 79.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.461 -0.791 . . . . 1.0 112.504 -178.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.423 HG13 ' CE1' ' A' ' 72' ' ' PHE . 18.9 m -70.0 -37.87 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.716 0.769 . . . . 1.0 109.673 179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.8 t -62.2 -43.45 98.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.572 -1.195 . . . . 1.0 110.64 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.76 -63.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.018 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -105.92 125.04 50.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.34 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.31 69.21 0.74 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HZ2' ' HG ' ' A' ' 86' ' ' LEU . 22.9 pttp -103.04 -153.3 0.47 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.582 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.5 t -63.39 132.36 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.067 0.46 . . . . 1.0 111.443 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.49 -42.8 95.64 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.067 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -58.56 -42.36 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 113.647 -1.615 . . . . 1.0 111.015 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 88' ' ' SER . 81.7 tt0 -66.42 -38.87 88.41 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.829 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' HZ2' ' A' ' 81' ' ' LYS . 93.1 mt -64.52 -44.0 92.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.318 -0.553 . . . . 1.0 111.961 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' O ' ' OG ' ' A' ' 91' ' ' SER . 3.7 pp -80.87 -17.07 51.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.642 -0.423 . . . . 1.0 111.563 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 76.2 p -63.32 -40.31 96.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.336 -0.546 . . . . 1.0 110.638 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.42 -21.96 15.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.765 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.567 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 39.8 m-70 -90.47 -11.43 40.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.004 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 3.1 p -67.38 94.22 0.38 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.708 0.766 . . . . 1.0 111.013 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 47' ' ' LYS . 83.0 mt -69.83 -21.48 63.37 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.273 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.8 m -126.46 156.05 41.28 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.283 0.563 . . . . 1.0 111.486 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 p -104.88 24.11 12.41 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.527 -0.76 . . . . 1.0 111.004 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.541 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.5 p90 -132.3 173.39 11.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.673 0.273 . . . . 1.0 110.693 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 97' ' ' ALA . . . 158.77 -7.61 0.16 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.736 -0.745 . . . . 1.0 112.42 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' GLY . . . 172.81 30.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 110.482 -0.192 . . . . 1.0 110.482 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -95.32 141.41 28.93 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.079 0.466 . . . . 1.0 111.126 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.21 163.85 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.322 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -140.51 -87.43 0.19 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.659 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 5.5 p-80 -94.83 -7.93 38.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.319 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.9 m80 58.92 151.91 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.563 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -148.77 90.65 1.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.78 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -100.98 26.24 7.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.939 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -150.71 163.68 37.96 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.167 0.508 . . . . 1.0 110.909 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.7 p80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.938 -1.029 . . . . 1.0 110.063 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 ttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.136 -0.69 . . . . 1.0 109.136 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.23 59.07 2.09 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 115.467 -0.788 . . . . 1.0 111.748 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.18 -56.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 121.859 1.706 . . . . 1.0 112.38 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD12 HD11 ' A' ' 9' ' ' ILE . 4.2 mm? -99.26 0.85 43.97 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.775 -0.193 . . . . 1.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 29' ' ' LEU . 6.5 m -79.17 -7.77 58.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.219 0.452 . . . . 1.0 112.219 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -114.85 14.84 17.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.637 0.256 . . . . 1.0 111.254 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.402 ' SD ' HD13 ' A' ' 4' ' ' LEU . 16.7 ptm -152.98 160.89 43.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.063 0.458 . . . . 1.0 111.373 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -100.37 155.67 17.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.31 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.507 HD11 HD12 ' A' ' 4' ' ' LEU . 96.0 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 115.883 -0.599 . . . . 1.0 112.538 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -120.93 137.61 54.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.189 -0.914 . . . . 1.0 110.395 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -99.68 112.31 24.55 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.9 tt -64.0 -43.3 96.07 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.6 -94.08 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.54 -0.838 . . . . 1.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.79 131.87 45.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 1.0 110.35 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.73 131.44 53.79 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.271 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -61.73 -46.71 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.605 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.59 170.91 12.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.598 HD21 ' CD ' ' A' ' 21' ' ' GLU . 18.2 p30 -91.89 169.96 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.113 0.482 . . . . 1.0 110.544 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -49.95 -71.8 0.06 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.508 0.929 . . . . 1.0 113.508 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.19 -48.34 79.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.777 1.028 . . . . 1.0 113.777 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.598 ' CD ' HD21 ' A' ' 18' ' ' ASN . 48.9 mt-10 -69.71 -41.69 75.03 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.205 -0.598 . . . . 1.0 112.53 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.2 -49.55 75.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.755 0.788 . . . . 1.0 109.38 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.06 -43.7 97.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.4 -1.273 . . . . 1.0 110.272 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.68 85.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.864 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.0 tpp -62.9 -44.75 95.24 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.009 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.24 -44.71 99.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -70.88 -31.6 68.31 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.672 -0.411 . . . . 1.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -59.66 -45.86 90.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.36 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 5' ' ' SER . 12.7 mt -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.123 0.963 . . . . 1.0 109.147 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.27 -3.64 4.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.237 -1.945 . . . . 1.0 108.237 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.98 151.64 41.38 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -132.47 150.95 52.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.681 0.276 . . . . 1.0 110.46 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' O ' ' OG1' ' A' ' 34' ' ' THR . 90.0 mt -101.38 107.08 18.32 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 3.5 m -170.27 164.07 8.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.151 0.501 . . . . 1.0 111.276 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' HG22 ' A' ' 34' ' ' THR . . . 101.2 128.3 6.34 Favored Glycine 0 CA--C 1.522 0.501 0 CA-C-N 115.397 -0.82 . . . . 1.0 111.186 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.2 p -68.06 -38.35 82.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.471 0.177 . . . . 1.0 111.073 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.37 -89.33 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 120.908 -0.317 . . . . 1.0 111.367 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.34 -31.02 72.05 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -52.37 -35.34 51.13 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.247 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 174.28 7.03 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.109 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.58 ' C ' HD12 ' A' ' 42' ' ' LEU . 9.9 t -100.88 -76.92 0.55 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.214 0.531 . . . . 1.0 109.911 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.632 HD21 HH21 ' A' ' 66' ' ' ARG . 8.6 mp -116.23 123.58 48.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.353 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 t -82.63 143.71 30.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.785 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.514 HD13 HG13 ' A' ' 68' ' ' VAL . 4.6 mm -91.85 109.55 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.166 0.508 . . . . 1.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -154.0 139.96 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.655 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.5 p -84.01 168.97 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -61.85 -37.48 84.64 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -58.94 -41.1 86.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.461 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -65.8 -41.0 92.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 1.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.66 -42.15 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.773 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -53.73 -29.51 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 1.0 111.431 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.788 -0.642 . . . . 1.0 111.819 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.7 mmt 57.29 47.3 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.381 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -74.96 174.87 8.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.135 -0.939 . . . . 1.0 110.887 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -59.82 -37.88 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.636 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -63.1 -40.73 98.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.869 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -61.73 -40.17 94.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.984 0.421 . . . . 1.0 110.744 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.44 -31.84 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.622 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 19.8 mt-10 -66.2 -45.49 80.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.706 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.4 -46.35 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.523 . . . . 1.0 109.726 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -63.97 -44.5 92.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.588 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.48 -11.26 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.221 0.534 . . . . 1.0 110.563 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . -95.05 0.51 54.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.179 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 79.4 m-20 57.91 57.03 4.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.205 0.526 . . . . 1.0 110.679 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 67.3 t -124.13 116.39 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.503 -0.771 . . . . 1.0 109.732 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.632 HH21 HD21 ' A' ' 42' ' ' LEU . 56.1 ttp180 -65.9 157.02 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.22 132.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.4 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.514 HG13 HD13 ' A' ' 44' ' ' ILE . 13.7 p -122.8 134.27 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.781 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.54 159.96 27.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.27 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -63.4 -33.93 76.62 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.211 0.449 . . . . 1.0 112.211 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -59.11 -15.88 16.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.107 -0.637 . . . . 1.0 109.332 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -61.04 -41.91 97.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.403 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.77 -42.44 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.222 -0.899 . . . . 1.0 110.396 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -67.27 -40.05 86.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.423 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 95.2 m-20 -63.06 -47.99 80.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.99 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.74 -37.6 77.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.74 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.8 p -62.62 -38.31 89.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.864 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.26 -64.83 1.1 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.608 0.595 . . . . 1.0 112.608 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' ASP . 2.6 m -61.13 -41.61 97.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.864 -0.607 . . . . 1.0 112.258 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 50.78 42.07 27.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.036 0.384 . . . . 1.0 112.036 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -79.71 -168.35 1.55 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.82 0.819 . . . . 1.0 111.389 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.5 m -73.41 144.03 46.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.113 -1.403 . . . . 1.0 109.668 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 83' ' ' LEU . 5.9 mp -63.22 -42.52 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.369 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -60.67 -44.89 95.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.772 -0.371 . . . . 1.0 111.505 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -67.3 -37.79 83.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.339 0.59 . . . . 1.0 109.646 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 41.2 mt -63.52 -42.87 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.575 -0.739 . . . . 1.0 112.314 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD22 HH12 ' A' ' 66' ' ' ARG . 3.4 pp -82.37 -11.07 58.8 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.099 -0.64 . . . . 1.0 110.432 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -62.67 -41.52 99.12 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.456 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.98 -28.24 9.69 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.606 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 35.1 m-70 -80.28 -21.71 42.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.676 -0.41 . . . . 1.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 93' ' ' SER . 27.2 t -61.95 122.54 15.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.053 0.93 . . . . 1.0 110.033 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 mt -98.64 2.84 47.63 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 113.664 -1.607 . . . . 1.0 110.363 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 91' ' ' SER . 27.3 p -148.76 160.88 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.441 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -116.7 38.72 3.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.92 0.39 . . . . 1.0 111.346 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.559 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.8 p90 -142.08 163.31 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.791 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 149.2 54.71 0.02 OUTLIER Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 78.41 68.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 1.0 110.332 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 97' ' ' ALA . 73.7 mm-40 53.67 165.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.364 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.6 127.49 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.974 0.416 . . . . 1.0 110.541 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -106.87 -46.0 4.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.685 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 52.2 t-80 -78.41 48.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.323 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -53.31 111.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.169 0.509 . . . . 1.0 110.756 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -150.32 2.1 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.182 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' C ' ' HD1' ' A' ' 104' ' ' HIS . 0.4 OUTLIER -59.69 -46.38 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.454 -179.458 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -113.01 138.33 50.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.412 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.0 p80 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.335 -0.841 . . . . 1.0 110.321 179.885 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.454 -0.572 . . . . 1.0 109.454 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.2 mttm 48.93 62.29 12.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.755 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.11 -51.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.431 2.088 . . . . 1.0 112.713 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.749 HD12 HD12 ' A' ' 29' ' ' LEU . 75.2 mt -104.35 3.21 32.17 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 1.0 112.269 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -70.98 -17.26 62.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.54 -0.464 . . . . 1.0 111.707 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -104.74 3.92 31.85 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 121.05 -0.26 . . . . 1.0 111.651 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.0 ptm -147.72 166.39 27.61 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.788 -0.765 . . . . 1.0 112.421 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' O ' ' OG ' ' A' ' 41' ' ' SER . 13.9 mptt -101.39 175.45 5.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 114.809 -1.087 . . . . 1.0 108.553 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.6 mm -140.75 152.06 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.49 140.66 50.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.922 0.392 . . . . 1.0 110.742 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -109.61 104.55 13.59 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.594 -0.891 . . . . 1.0 108.594 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 12' ' ' LEU . 39.0 tp -63.27 -42.66 99.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.688 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' LYS . . . 169.04 158.71 13.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.264 -0.735 . . . . 1.0 111.264 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 13' ' ' GLY . 59.9 tttm 56.17 152.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 1.0 111.065 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.7 tp -167.49 127.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.494 -0.483 . . . . 1.0 110.456 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 t -65.02 -43.32 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 1.0 110.636 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.521 HE21 ' HA ' ' A' ' 22' ' ' ALA . 29.6 mt-30 -67.77 150.29 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.407 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -73.58 160.3 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 19.4 ptmt -56.89 -47.07 81.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.629 -0.829 . . . . 1.0 111.079 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 46.6 t0 -65.06 -47.81 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.42 -43.82 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.217 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' HA ' HE21 ' A' ' 17' ' ' GLN . . . -63.14 -54.78 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.26 0.552 . . . . 1.0 111.068 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' NZ ' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.18 -43.0 99.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.231 -178.08 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 23' ' ' LYS . . . -60.17 -49.8 76.21 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.432 -0.507 . . . . 1.0 111.176 -179.13 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 ptm -66.51 -39.62 88.76 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.973 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.91 -44.22 99.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.829 -0.349 . . . . 1.0 111.916 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.79 -23.89 52.87 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.14 -45.93 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.193 0.521 . . . . 1.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.749 HD12 HD12 ' A' ' 4' ' ' LEU . 31.0 mt -63.81 -40.29 96.29 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 122.38 1.086 . . . . 1.0 109.282 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.08 -1.57 5.82 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 107.548 -2.221 . . . . 1.0 107.548 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 152.52 32.59 Favored Glycine 0 C--N 1.34 0.765 0 N-CA-C 110.238 -1.145 . . . . 1.0 110.238 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -141.16 150.44 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.644 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -97.23 138.3 34.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.9 t -135.49 161.17 36.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.446 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -87.18 -133.94 3.98 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.4 t 38.43 -146.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.01 -66.37 0.38 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.026 -0.27 . . . . 1.0 110.301 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -62.58 -25.6 68.16 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.423 0.527 . . . . 1.0 112.423 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -58.66 -36.26 73.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.48 167.97 20.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.722 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 30.0 p -102.1 -69.63 0.78 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.312 0.577 . . . . 1.0 109.551 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.89 119.45 37.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.756 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.0 t -84.16 138.44 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.016 -0.993 . . . . 1.0 110.599 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.69 111.84 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.533 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -164.62 147.74 8.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.652 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 p -90.48 164.73 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -39.9 89.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.56 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.82 -43.93 77.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.56 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -62.74 -40.39 97.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.378 0.609 . . . . 1.0 109.85 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.42 -43.28 96.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.317 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -56.98 -19.21 16.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.782 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -63.49 -40.75 97.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.8 mmt 52.45 48.0 23.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.116 -0.947 . . . . 1.0 110.112 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -85.41 179.88 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.13 -41.57 92.97 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.254 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.46 -42.87 92.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -39.17 92.14 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.525 -0.546 . . . . 1.0 109.525 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -36.82 76.35 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.997 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -63.86 -42.12 97.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.206 0.527 . . . . 1.0 109.874 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.6 -44.62 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.576 -0.898 . . . . 1.0 108.576 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.2 -48.31 80.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.624 -1.171 . . . . 1.0 112.098 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.95 60.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.082 0.468 . . . . 1.0 110.617 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.83 -2.01 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.467 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.441 ' HB3' ' H ' ' A' ' 97' ' ' ALA . 73.2 m-20 58.17 55.45 5.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.96 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.573 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 79.7 t -122.48 124.42 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -70.82 156.51 39.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' SER . 41.6 t -108.64 131.44 59.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.53 140.32 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.296 0.57 . . . . 1.0 111.309 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.1 p -67.78 153.73 43.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.464 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 77.1 tt0 -65.51 -33.59 76.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.898 -178.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.27 -14.12 10.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 76' ' ' VAL . 42.7 t80 -59.66 -42.53 93.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.462 -0.79 . . . . 1.0 111.112 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.31 -42.18 90.77 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.032 -0.729 . . . . 1.0 109.032 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.26 -33.73 67.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 1.0 111.28 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 79' ' ' SER . 92.6 m-20 -64.36 -47.62 78.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.415 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.436 HG11 ' CE1' ' A' ' 72' ' ' PHE . 28.7 m -66.75 -39.27 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.569 -0.853 . . . . 1.0 109.511 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.604 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.79 -67.18 0.87 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.253 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.8 m -64.57 143.21 58.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.257 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.82 27.5 8.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.583 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -72.46 -164.01 0.14 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.827 0.822 . . . . 1.0 110.65 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -77.77 145.07 36.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.979 -1.464 . . . . 1.0 110.519 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.4 -43.53 97.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.194 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -66.2 -40.97 90.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.947 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.83 -32.88 74.65 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.899 0.38 . . . . 1.0 110.82 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.47 -39.76 94.47 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.744 -0.382 . . . . 1.0 110.267 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 91' ' ' SER . 10.8 mt -62.94 -26.0 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.331 0.586 . . . . 1.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 m -51.01 -38.69 52.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.168 -0.923 . . . . 1.0 110.806 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.06 10.8 17.53 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.229 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.423 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 46.1 m-70 -131.75 -4.42 3.65 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.998 -0.281 . . . . 1.0 111.738 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 93' ' ' SER . 67.8 m -59.17 -40.17 84.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.404 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.7 mt 46.21 4.56 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.528 -0.305 . . . . 1.0 111.604 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 91' ' ' SER . 12.1 t -155.06 161.25 41.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.62 -0.264 . . . . 1.0 110.694 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -114.32 8.93 16.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.573 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 29.3 p90 -123.25 171.0 9.7 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.04 0.447 . . . . 1.0 111.218 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.651 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 143.21 64.7 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.389 -1.084 . . . . 1.0 110.389 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 86.19 19.05 0.1 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.332 0.587 . . . . 1.0 110.174 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -123.26 144.04 49.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.268 -0.878 . . . . 1.0 109.731 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 m -122.86 128.57 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.722 0.772 . . . . 1.0 110.268 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -103.66 -10.24 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.978 -1.01 . . . . 1.0 111.459 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -163.07 -71.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.626 -0.43 . . . . 1.0 110.992 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -158.41 -179.64 8.28 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.521 -0.472 . . . . 1.0 111.936 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -103.16 -17.82 15.2 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.097 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -156.28 151.07 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.531 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -43.73 87.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.087 0.47 . . . . 1.0 110.731 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.2 m170 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.923 -179.132 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.117 -0.698 . . . . 1.0 109.117 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt 48.15 64.9 7.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.288 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.59 -54.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.684 2.256 . . . . 1.0 112.129 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 29' ' ' LEU . 96.7 mt -103.01 -2.19 28.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 86.3 p -84.1 90.46 7.47 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.665 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 5' ' ' SER . 10.4 p30 147.85 -6.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.386 1.054 . . . . 1.0 109.021 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 ptm -134.27 151.16 51.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.909 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -93.51 155.1 17.52 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 HD13 ' A' ' 4' ' ' LEU . 91.3 mt -128.5 153.81 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.569 0.952 . . . . 1.0 113.569 -176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' N ' HG22 ' A' ' 9' ' ' ILE . 7.1 tt -133.73 150.42 51.49 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.312 -1.313 . . . . 1.0 110.28 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -133.41 144.13 49.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 56' ' ' LYS . 15.9 tp -116.6 124.04 48.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.164 0.507 . . . . 1.0 112.025 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.64 -130.53 45.96 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.516 -0.766 . . . . 1.0 113.808 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -60.6 137.32 58.19 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.372 -0.914 . . . . 1.0 113.226 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.6 tp -124.45 128.59 49.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.604 -1.18 . . . . 1.0 109.468 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -61.48 -43.62 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.132 0.492 . . . . 1.0 110.339 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.437 HE22 HD12 ' A' ' 73' ' ' LEU . 28.0 mt-30 -73.0 148.75 43.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.806 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -78.99 -161.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.671 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.73 -71.44 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.606 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.65 -43.61 97.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.998 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -38.69 92.03 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.836 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 -65.59 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.876 -0.73 . . . . 1.0 111.464 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.17 -40.32 85.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.468 0.544 . . . . 1.0 112.468 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.53 95.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.833 -0.747 . . . . 1.0 112.067 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.4 ptm -72.0 -38.64 69.6 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.035 -0.666 . . . . 1.0 111.94 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.87 -44.85 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.746 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.29 -23.06 61.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.521 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.59 -48.48 81.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.354 0.597 . . . . 1.0 109.452 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 4' ' ' LEU . 41.0 mt -65.13 -41.43 94.84 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.147 0.975 . . . . 1.0 109.73 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.8 -5.5 5.79 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 108.293 -1.923 . . . . 1.0 108.293 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.77 151.6 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.656 -0.977 . . . . 1.0 110.656 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -135.11 155.67 50.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.954 0.407 . . . . 1.0 110.752 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.8 127.88 49.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.799 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -88.98 166.51 13.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.493 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.15 13.88 26.13 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 p -151.43 163.43 39.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.788 0.328 . . . . 1.0 110.525 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.574 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -80.75 161.61 24.47 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.518 0.675 . . . . 1.0 112.204 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 11.3 t-20 62.34 -22.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.687 -1.142 . . . . 1.0 112.247 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' A' ' 37' ' ' ALA . 32.1 tptt -62.32 -35.88 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.3 -173.72 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.087 -0.96 . . . . 1.0 110.133 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.637 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.3 p -120.2 -47.63 2.36 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.725 HD23 HG11 ' A' ' 68' ' ' VAL . 11.0 mp -118.11 124.21 47.48 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 1.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.58 137.23 32.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.109 . . . . 1.0 110.055 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -91.7 108.78 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.306 0.574 . . . . 1.0 110.812 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -161.9 156.49 22.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.374 -0.83 . . . . 1.0 110.038 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.468 ' CG2' ' OE1' ' A' ' 70' ' ' GLU . 55.2 p -112.24 167.74 10.17 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' VAL . 14.5 mmtt -50.74 -47.72 59.24 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 120.295 -0.562 . . . . 1.0 110.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' LYS . 25.4 mtpp -38.85 -43.51 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.232 0.333 . . . . 1.0 110.35 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -71.3 -43.63 66.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.119 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.721 ' O ' ' SD ' ' A' ' 53' ' ' MET . 5.5 t -67.96 -20.41 25.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.353 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.69 -38.92 87.76 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 120.854 -1.154 . . . . 1.0 108.573 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -71.14 -44.4 65.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.747 -1.115 . . . . 1.0 112.685 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' MET . . . . . 0.721 ' SD ' ' O ' ' A' ' 50' ' ' VAL . 11.4 mmm 52.23 59.17 4.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.9 -0.778 . . . . 1.0 108.9 -176.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.8 m -80.26 -174.06 4.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.596 -1.183 . . . . 1.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -60.45 -37.97 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.986 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HB3' HD11 ' A' ' 12' ' ' LEU . 75.2 mmtt -61.03 -40.17 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.21 -39.95 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.187 0.518 . . . . 1.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.63 -33.6 66.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.91 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 18.6 mm-40 -64.36 -45.79 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.55 -46.34 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.194 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.29 -44.27 96.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.653 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.24 2.58 35.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.713 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -105.82 -10.53 16.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.79 0.329 . . . . 1.0 110.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.5 ' CG ' ' H ' ' A' ' 97' ' ' ALA . 3.0 t-20 62.35 59.78 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.743 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.532 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 81.0 t -127.68 126.9 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.535 HH21 HD11 ' A' ' 42' ' ' LEU . 46.7 ttp180 -65.99 145.21 56.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.437 -0.579 . . . . 1.0 109.437 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -106.57 132.45 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.405 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.725 HG11 HD23 ' A' ' 42' ' ' LEU . 26.9 m -130.54 156.88 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.919 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.25 160.16 18.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.454 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.468 ' OE1' ' CG2' ' A' ' 46' ' ' THR . 54.9 mp0 -63.46 -35.62 81.06 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.57 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.79 -12.47 24.53 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.94 -44.35 97.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.225 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 4' ' ' LEU . 94.7 mt -61.4 -41.0 96.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.324 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 27.7 mm100 -65.15 -39.39 92.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.811 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.555 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 88.9 m-20 -62.33 -50.19 72.6 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.453 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.73 -37.68 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.726 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.0 m -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.073 -0.967 . . . . 1.0 111.122 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.3 -60.02 1.82 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' ASP . 5.8 p -60.42 -43.83 96.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.682 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 49.53 34.11 6.54 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -78.5 -168.78 1.46 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.661 0.743 . . . . 1.0 111.381 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.6 m -63.34 142.05 58.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.596 -1.184 . . . . 1.0 109.674 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.405 ' H ' HD12 ' A' ' 83' ' ' LEU . 4.5 mp -63.28 -42.92 99.14 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.469 -0.493 . . . . 1.0 111.355 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -64.99 -40.09 94.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.546 -0.297 . . . . 1.0 111.052 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' OG ' ' A' ' 88' ' ' SER . 83.0 tt0 -63.34 -35.92 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.618 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.85 -40.26 96.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 91' ' ' SER . 7.4 mt -63.93 -29.24 70.43 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.469 -0.937 . . . . 1.0 108.469 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 24.6 p -57.98 -35.67 71.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.822 -1.081 . . . . 1.0 111.098 -176.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.28 -0.06 15.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.275 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.555 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 56.4 m-70 -129.94 4.56 4.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.446 0.536 . . . . 1.0 112.446 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.7 p -75.57 99.4 4.26 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.518 0.675 . . . . 1.0 110.526 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.09 -11.33 50.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.004 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -148.68 155.51 41.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.839 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.3 p -106.69 -0.69 23.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TRP . . . . . 0.532 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 6.8 p90 -101.44 168.45 9.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.707 -0.224 . . . . 1.0 110.824 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.88 59.06 0.07 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.36 -0.696 . . . . 1.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 44.69 56.88 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 1.0 111.649 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -51.76 150.77 3.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.826 -0.435 . . . . 1.0 109.826 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 m -54.34 88.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 113.464 0.913 . . . . 1.0 113.464 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -129.5 -3.49 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.593 -0.731 . . . . 1.0 109.907 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -65.9 -50.38 64.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.476 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 170.34 163.05 0.07 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.334 0.396 . . . . 1.0 110.447 -179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -82.16 -46.14 14.18 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -163.64 157.71 19.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.378 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 35.8 p-80 -80.49 140.29 35.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 1.0 110.357 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.834 -179.222 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 53.7 mttm . . . . . 0 CA--C 1.531 0.247 0 CA-C-O 120.371 0.129 . . . . 1.0 111.084 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 53.8 Cg_endo -67.86 -52.1 0.57 Allowed 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.298 1.999 . . . . 1.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.4 mm? -95.0 -3.98 47.44 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.848 0.314 . . . . 1.0 111.848 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -66.97 -17.53 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -100.54 7.98 43.75 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.086 -0.246 . . . . 1.0 111.419 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.411 ' HE3' HD13 ' A' ' 42' ' ' LEU . 19.4 ptm -150.22 153.13 35.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.336 -0.546 . . . . 1.0 112.092 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -89.23 156.27 18.87 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.495 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mm -132.23 150.03 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.857 0.837 . . . . 1.0 112.936 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 tt -139.3 139.0 37.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.156 -1.384 . . . . 1.0 108.636 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -126.63 127.97 46.04 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.235 0.541 . . . . 1.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.3 125.09 49.36 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.338 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.12 178.59 51.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -75.71 138.8 41.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.153 0.502 . . . . 1.0 111.338 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -123.48 172.38 8.77 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.417 -0.81 . . . . 1.0 110.221 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m -58.74 -42.56 89.1 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.328 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.5 mp0 -74.36 136.51 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.942 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.577 HD22 ' CD ' ' A' ' 21' ' ' GLU . 33.8 m-80 -74.85 -178.47 3.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.371 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -60.56 -51.92 67.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.83 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.61 -10.24 59.76 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.351 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.577 ' CD ' HD22 ' A' ' 18' ' ' ASN . 96.2 mt-10 -100.46 -24.78 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.878 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.68 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 1.0 110.771 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.0 -44.67 96.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.605 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.5 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 1.0 112.02 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -68.88 -39.49 79.78 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.871 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.13 -44.05 99.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.573 -0.451 . . . . 1.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -71.27 -30.28 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.81 -43.86 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.407 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.77 -42.11 99.54 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 122.198 0.999 . . . . 1.0 109.404 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.11 -5.84 3.97 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 107.761 -2.136 . . . . 1.0 107.761 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.56 153.4 28.58 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -130.99 152.05 50.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.338 . . . . 1.0 110.643 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -102.18 113.79 27.36 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.103 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -88.02 163.77 16.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.281 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.68 -17.39 9.83 Favored Glycine 0 N--CA 1.468 0.769 0 N-CA-C 111.323 -0.711 . . . . 1.0 111.323 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -84.2 -137.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.74 -69.91 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.664 0.269 . . . . 1.0 111.168 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 16.2 t-20 -63.62 -27.98 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.687 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.17 -35.0 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.309 -0.556 . . . . 1.0 109.664 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.64 158.19 30.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.037 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.554 ' C ' HD12 ' A' ' 42' ' ' LEU . 74.7 m -95.27 -71.97 0.65 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.677 HD23 HG11 ' A' ' 68' ' ' VAL . 10.9 mp -115.5 121.26 42.16 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.1 t -81.5 140.21 34.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.161 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -95.23 112.72 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.303 0.573 . . . . 1.0 110.015 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -157.96 152.21 24.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.888 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.8 p -95.25 163.78 13.13 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.85 81.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.473 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.07 -39.54 75.14 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.001 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.2 -39.87 89.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.99 -43.9 96.09 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.505 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -51.72 -37.1 49.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.872 0.368 . . . . 1.0 111.711 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -63.39 -38.87 92.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.144 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.4 mmt 58.33 57.87 3.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.81 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -76.78 176.03 8.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.62 -40.57 95.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.962 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HD3' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.46 -38.99 91.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.217 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.41 -39.98 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.86 -35.52 76.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.08 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -64.36 -44.6 90.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.125 0.488 . . . . 1.0 109.75 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.421 -0.809 . . . . 1.0 109.497 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.88 -46.06 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.423 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.98 -11.35 60.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.854 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -90.01 -6.63 55.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.733 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 1.9 t-20 60.63 54.7 3.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.541 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.582 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 48.4 t -124.17 125.88 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.804 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NH1' HD13 ' A' ' 87' ' ' LEU . 43.7 ttm180 -69.33 147.62 50.85 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.635 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.485 ' H ' ' HB2' ' A' ' 93' ' ' SER . 54.2 t -112.72 131.38 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.387 -0.824 . . . . 1.0 109.619 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.677 HG11 HD23 ' A' ' 42' ' ' LEU . 31.5 m -130.97 160.79 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.878 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.74 151.91 33.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.853 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.634 ' CD ' ' H ' ' A' ' 70' ' ' GLU . 3.3 pm0 -63.91 -31.12 72.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.742 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.15 -10.13 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.295 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 70' ' ' GLU . 32.9 t80 -59.68 -42.62 93.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.824 -0.806 . . . . 1.0 108.824 177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.81 -41.87 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 1.0 109.133 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.28 -38.17 87.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.086 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.82 -48.7 80.63 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.647 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.35 -37.57 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.078 -0.649 . . . . 1.0 109.569 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 t -60.66 -43.74 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.301 -0.863 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.24 -64.32 1.15 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.061 0.458 . . . . 1.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 t -81.73 166.82 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.05 42.81 1.94 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -71.84 -167.55 0.29 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.513 0.673 . . . . 1.0 111.023 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 m -71.78 143.68 49.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.787 -1.097 . . . . 1.0 110.632 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -63.29 -43.67 97.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.61 -0.723 . . . . 1.0 109.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -65.26 -39.45 92.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.087 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.233 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.91 -42.79 99.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.823 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.716 ' C ' HD12 ' A' ' 87' ' ' LEU . 3.7 pp -81.96 -8.05 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.661 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.511 ' N ' HD12 ' A' ' 87' ' ' LEU . 29.6 t -70.03 -34.51 73.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 1.0 110.8 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.88 -41.01 4.61 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.992 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -65.86 -36.3 83.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 1.0 111.727 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 93' ' ' SER . 30.0 t -53.35 125.7 18.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 122.438 1.113 . . . . 1.0 111.321 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.13 -5.19 41.28 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 112.979 -1.919 . . . . 1.0 109.573 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.485 ' HB2' ' H ' ' A' ' 67' ' ' VAL . 47.8 m -134.26 150.93 51.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.3 p -102.75 0.42 32.87 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.843 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.582 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 9.2 p90 -103.25 165.6 10.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.549 0.214 . . . . 1.0 110.694 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.65 67.93 0.08 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.428 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . . . . . . 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.441 . . . . 1.0 110.427 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 64.4 mttm . . . . . 0 CA--C 1.528 0.111 0 N-CA-C 110.424 -0.214 . . . . 1.0 110.424 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 57.3 Cg_endo -68.63 -38.05 11.42 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 121.849 1.699 . . . . 1.0 112.848 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.864 HD12 HD12 ' A' ' 29' ' ' LEU . 83.9 mt -109.96 -9.61 14.76 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -63.83 -19.78 65.3 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.701 0.63 . . . . 1.0 112.701 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.37 12.74 36.49 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.721 0.296 . . . . 1.0 111.395 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 ptm -151.99 156.37 39.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 1.0 111.704 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.36 150.1 22.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.57 HD11 HD13 ' A' ' 4' ' ' LEU . 90.3 mt -118.6 141.3 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.124 0.488 . . . . 1.0 111.71 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -116.29 133.33 56.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.153 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 p -104.72 118.24 36.08 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.91 -42.08 99.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.034 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.68 -91.67 0.09 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -66.99 133.32 49.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.086 0.469 . . . . 1.0 111.255 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.488 HD11 ' CD ' ' A' ' 70' ' ' GLU . 40.5 tp -119.75 133.76 55.49 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.671 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 t -61.69 -79.84 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.65 0.611 . . . . 1.0 112.65 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 8.6 pt20 -58.54 179.62 0.08 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.085 0.469 . . . . 1.0 112.003 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.47 151.59 44.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.443 -0.799 . . . . 1.0 111.687 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -62.11 -48.08 81.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.955 -1.02 . . . . 1.0 110.87 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.51 -40.85 98.08 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.04 -0.664 . . . . 1.0 110.766 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -69.12 -38.58 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 1.0 111.106 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 -56.79 10.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.18 -41.46 99.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.385 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.73 79.72 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.644 -0.422 . . . . 1.0 111.387 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 25' ' ' MET . 2.2 ppp? -68.73 -40.28 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.312 -0.555 . . . . 1.0 112.038 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.2 -44.24 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.928 0.344 . . . . 1.0 111.928 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.77 -28.51 65.82 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.826 -0.349 . . . . 1.0 111.295 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.52 -44.85 95.36 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.937 0.399 . . . . 1.0 111.056 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.864 HD12 HD12 ' A' ' 4' ' ' LEU . 51.7 mt -64.02 -38.42 91.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.209 1.004 . . . . 1.0 108.893 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.15 -1.61 9.04 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 107.211 -2.356 . . . . 1.0 107.211 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.2 152.59 43.72 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -134.37 154.28 51.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.593 0.711 . . . . 1.0 111.674 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' OG1' ' A' ' 34' ' ' THR . 15.9 mt -120.17 113.33 20.29 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.938 -1.028 . . . . 1.0 110.518 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 m -174.75 154.12 1.89 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.878 0.37 . . . . 1.0 110.878 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.34 15.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.021 -0.536 . . . . 1.0 112.451 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m -82.3 -42.82 18.3 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.424 -0.388 . . . . 1.0 111.526 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' ' 63' ' ' ALA . . . -169.78 152.49 4.55 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.295 0.569 . . . . 1.0 111.136 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 9.6 t-20 56.69 -2.21 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.036 -0.984 . . . . 1.0 112.486 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 37' ' ' ALA . 97.9 mttt -88.95 -12.08 42.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.311 0.577 . . . . 1.0 109.788 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.15 177.35 4.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.03 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.52 ' C ' HD12 ' A' ' 42' ' ' LEU . 7.3 t -109.34 -54.83 2.49 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 41' ' ' SER . 9.0 mp -116.36 120.43 38.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.692 -0.685 . . . . 1.0 109.644 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.43 138.92 31.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -90.49 111.42 23.44 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-O 121.484 0.659 . . . . 1.0 110.524 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 t -165.94 131.18 2.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.639 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 p -82.97 167.99 17.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.89 -38.89 79.89 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.455 -0.498 . . . . 1.0 109.661 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.72 -43.1 85.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 78.9 mm-40 -65.53 -37.95 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.49 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.0 -43.17 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.421 0.629 . . . . 1.0 110.282 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -55.66 -17.61 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.54 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 73.4 mmtt -62.88 -42.53 99.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.495 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.5 mmt 53.18 45.01 29.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.453 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 t -86.38 178.4 7.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.29 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.457 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -60.48 -41.15 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.029 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -63.59 -39.3 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.541 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -58.59 -32.02 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.1 -43.34 87.54 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.312 -0.555 . . . . 1.0 109.82 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.45 -45.06 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 122.066 0.936 . . . . 1.0 108.476 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.7 -46.88 87.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 113.897 -1.501 . . . . 1.0 111.934 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.35 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 1.0 110.007 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -87.74 -6.59 58.11 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.0 109.828 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 m120 56.55 53.88 8.06 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.341 -0.845 . . . . 1.0 111.318 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 65.6 t -124.64 125.46 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.3 ttm-85 -63.09 147.94 49.32 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.529 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.95 130.59 70.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.032 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 m -134.13 160.28 41.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.25 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.2 t -74.64 152.57 39.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.846 -0.798 . . . . 1.0 108.846 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.489 ' C ' ' N ' ' A' ' 72' ' ' PHE . 76.5 tt0 -64.77 -32.71 74.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.46 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.92 -16.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.489 ' N ' ' C ' ' A' ' 70' ' ' GLU . 26.8 t80 -58.3 -39.9 80.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.175 -0.921 . . . . 1.0 109.549 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.72 -42.29 88.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.765 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -69.56 -34.96 74.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.401 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.533 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.2 m-20 -62.61 -49.74 74.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.405 -0.816 . . . . 1.0 112.403 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 5.9 m -66.12 -39.44 84.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.694 -0.802 . . . . 1.0 109.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.7 m -62.33 -40.95 98.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.83 -67.13 0.86 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.823 0.344 . . . . 1.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 t -60.84 -46.54 90.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.98 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 76' ' ' VAL . . . 44.52 42.47 5.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -85.67 -160.78 0.55 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.553 0.692 . . . . 1.0 110.354 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 m -62.48 142.66 57.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.801 -1.09 . . . . 1.0 109.398 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.22 -44.42 95.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.976 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -62.38 -41.95 99.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.131 -0.941 . . . . 1.0 112.113 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -65.51 -38.18 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.854 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.94 -42.11 97.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.037 0.384 . . . . 1.0 112.037 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 87' ' ' LEU . 4.2 pp -82.81 -11.58 58.14 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 119.859 -0.737 . . . . 1.0 110.996 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.3 m -62.39 -40.63 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.819 0.342 . . . . 1.0 110.362 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.79 -41.02 6.32 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 35.5 m-70 -65.45 -41.65 93.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.755 -178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 m -40.37 110.25 0.14 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.167 0.984 . . . . 1.0 111.91 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.8 mt -91.31 -1.82 57.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 113.65 -1.614 . . . . 1.0 109.101 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.6 p -139.77 163.62 32.13 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.149 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -121.44 36.72 4.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.57 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.3 p90 -139.54 166.28 25.0 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 149.41 58.59 0.01 OUTLIER Glycine 0 N--CA 1.465 0.574 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 1.0 111.734 179.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.0 mttt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.728 0.299 . . . . 1.0 111.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.75 -52.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.57 2.18 . . . . 1.0 112.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.005 HD12 HD12 ' A' ' 29' ' ' LEU . 89.9 mt -98.99 2.33 46.25 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.983 -178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -68.36 -31.37 70.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.39 0.515 . . . . 1.0 112.39 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -95.99 10.97 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.154 0.427 . . . . 1.0 112.154 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.1 ptm -150.43 168.94 22.67 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.289 -0.564 . . . . 1.0 112.117 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -99.37 166.61 11.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.505 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.713 HD11 HD22 ' A' ' 4' ' ' LEU . 35.9 mm -137.34 149.55 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.596 -0.729 . . . . 1.0 112.255 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.61 142.84 43.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.975 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -113.71 129.46 56.57 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.774 0.321 . . . . 1.0 110.725 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.3 tp -122.79 130.46 52.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.397 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.01 -142.07 45.81 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.593 -0.603 . . . . 1.0 111.593 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -120.9 155.23 34.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.906 0.384 . . . . 1.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -136.09 -176.14 4.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.244 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 t -59.34 -44.18 92.68 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.455 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' OE2' ' A' ' 70' ' ' GLU . 24.7 mt-30 -64.58 160.62 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.818 -0.808 . . . . 1.0 108.818 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.592 HD22 ' CD ' ' A' ' 21' ' ' GLU . 65.3 m-80 -70.7 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.591 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -171.31 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.176 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.1 -41.31 97.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.592 ' CD ' HD22 ' A' ' 18' ' ' ASN . 21.4 pt-20 -67.35 -41.61 84.9 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.547 -0.751 . . . . 1.0 111.136 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.591 -0.731 . . . . 1.0 109.61 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.07 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.753 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.0 OUTLIER -67.07 -40.92 87.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.196 179.558 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.99 -43.8 99.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 1.0 110.366 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -59.19 -43.17 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.005 HD12 HD12 ' A' ' 4' ' ' LEU . 34.2 mt -63.08 -40.06 96.54 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.808 0.813 . . . . 1.0 109.61 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.78 -2.62 6.03 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 107.535 -2.226 . . . . 1.0 107.535 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.78 147.99 51.18 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.559 -1.017 . . . . 1.0 110.559 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -122.59 153.5 39.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.985 0.421 . . . . 1.0 110.489 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -97.24 125.08 41.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.768 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.1 m -125.31 132.06 52.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.28 -138.66 0.26 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.2 p 45.91 -126.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.607 -0.349 . . . . 1.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.67 -73.48 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.582 -0.447 . . . . 1.0 111.734 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 21.1 t-20 -59.69 -28.01 66.92 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.89 0.329 . . . . 1.0 111.89 -178.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.36 -35.87 72.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.35 160.3 31.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.412 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.8 p -103.62 -49.64 3.63 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.61 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -129.37 120.94 26.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.428 -178.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.57 ' N ' HD13 ' A' ' 42' ' ' LEU . 95.9 m -90.1 144.6 25.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 1.0 108.887 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.95 114.45 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.14 0.495 . . . . 1.0 110.12 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -157.25 149.19 22.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.037 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -93.06 166.09 12.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -37.5 83.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.73 -0.841 . . . . 1.0 108.73 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.62 -11.14 6.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 1.0 110.273 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -106.15 -36.2 6.98 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.097 0.475 . . . . 1.0 109.905 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.56 -42.13 89.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.183 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.74 -26.3 65.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.237 0.541 . . . . 1.0 110.394 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.26 -42.9 99.21 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.475 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.6 mmt 54.72 46.88 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.013 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 178.88 4.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.355 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.63 -40.93 96.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.508 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -60.33 -41.52 93.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.6 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -58.93 -36.28 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.362 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -60.12 -45.12 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.98 -45.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.4 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.82 -44.81 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.873 -0.603 . . . . 1.0 111.327 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.62 -13.51 60.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.531 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -91.75 -1.87 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.41 ' HB3' ' H ' ' A' ' 97' ' ' ALA . 5.9 m120 57.41 56.09 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.197 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 ' SG ' ' A' ' 43' ' ' CYS . 61.7 t -124.52 122.66 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -68.89 152.33 45.42 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.216 -0.594 . . . . 1.0 109.692 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.48 134.94 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.936 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.429 ' N ' HD11 ' A' ' 42' ' ' LEU . 1.8 p -133.38 158.97 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.63 156.09 37.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.487 0.661 . . . . 1.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 17' ' ' GLN . 85.7 tt0 -61.33 -43.79 98.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.123 -0.944 . . . . 1.0 111.104 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -48.31 -17.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.089 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' N ' ' C ' ' A' ' 70' ' ' GLU . 46.7 t80 -59.23 -42.92 92.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.342 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.76 -42.08 88.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -67.34 -38.78 85.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.32 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' SER . 99.0 m-20 -62.58 -49.57 74.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 1.0 112.071 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 72' ' ' PHE . 22.3 m -66.74 -39.88 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 119.362 -0.935 . . . . 1.0 109.734 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.7 98.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.94 -69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.609 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 75' ' ' ASP . 27.3 m -71.74 141.34 49.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -136.45 68.09 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.885 0.374 . . . . 1.0 110.951 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -112.73 -148.27 0.43 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.884 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.8 t -65.02 129.59 40.26 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.433 0.635 . . . . 1.0 111.579 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.307 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 84' ' ' GLN . 5.8 mp0 -63.26 -41.22 99.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.671 -1.604 . . . . 1.0 111.014 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -66.49 -38.43 87.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.476 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 78.9 mt -62.98 -44.1 96.98 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.775 -0.37 . . . . 1.0 111.257 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.81 -9.1 58.49 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.425 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.1 t -63.47 -42.95 98.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.079 0.466 . . . . 1.0 110.353 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.4 -43.66 5.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.896 -0.593 . . . . 1.0 112.101 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 16.1 m-70 -58.87 -41.35 86.86 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.929 -0.309 . . . . 1.0 111.313 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -56.4 100.87 0.05 OUTLIER 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.925 0.869 . . . . 1.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.92 -35.18 79.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 114.069 -1.423 . . . . 1.0 108.789 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.0 p -90.66 168.11 12.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.344 0.593 . . . . 1.0 112.097 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -129.22 32.85 4.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.082 -0.963 . . . . 1.0 109.353 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.554 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 8.3 p90 -139.03 165.67 26.52 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.562 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 146.27 67.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.358 0 N-CA-C 109.959 -1.256 . . . . 1.0 109.959 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.471 0.577 0 C-N-CA 123.839 0.856 . . . . 1.0 109.269 -179.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.795 0 CA-C-O 120.85 0.357 . . . . 1.0 111.773 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.65 -57.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.729 2.286 . . . . 1.0 114.012 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.88 -3.87 51.01 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.255 0.465 . . . . 1.0 112.255 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -67.56 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.323 0.86 . . . . 1.0 113.323 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.402 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 3.2 p30 -107.8 23.42 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.7 ptm -159.69 159.98 33.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.774 -0.77 . . . . 1.0 112.429 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -97.72 155.11 17.16 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.485 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mm -132.69 135.09 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.1 130.16 56.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.747 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 p -95.94 132.13 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.234 -1.024 . . . . 1.0 108.234 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' ' 56' ' ' LYS . 19.3 tp -107.47 122.46 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.58 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 33.17 -127.66 0.35 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.765 -0.534 . . . . 1.0 111.765 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -82.49 150.12 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.998 0.428 . . . . 1.0 110.906 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER -139.9 169.82 17.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.419 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 17' ' ' GLN . 73.2 m -60.12 -42.53 94.97 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.983 0.364 . . . . 1.0 111.983 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.44 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 35.6 mm-40 -58.38 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.393 0.616 . . . . 1.0 109.733 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.27 -78.24 0.59 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.265 -0.879 . . . . 1.0 109.749 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -179.07 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.342 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -89.05 -21.67 23.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.101 -0.704 . . . . 1.0 109.101 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.33 -10.32 52.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.833 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.44 -61.44 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.851 0.358 . . . . 1.0 110.747 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -40.38 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.39 96.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.235 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -39.86 82.65 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.463 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.72 -43.39 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.738 0.304 . . . . 1.0 111.105 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.71 -31.58 71.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.018 0.437 . . . . 1.0 110.383 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -60.21 -43.93 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.138 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.53 -41.26 98.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 122.544 1.164 . . . . 1.0 109.15 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.62 -2.74 3.8 Favored Glycine 0 C--N 1.317 -0.493 0 N-CA-C 108.093 -2.003 . . . . 1.0 108.093 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.5 157.14 29.72 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -133.51 157.91 44.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.045 0.926 . . . . 1.0 111.676 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.57 129.99 56.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 113.999 -1.455 . . . . 1.0 110.165 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -130.65 158.32 40.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.819 0.343 . . . . 1.0 110.347 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.18 -171.79 48.16 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.45 -0.66 . . . . 1.0 111.45 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.02 -163.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 1.0 110.756 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -135.78 161.51 35.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.652 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 8.1 t-20 71.51 -25.2 0.17 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 37' ' ' ALA . 87.2 tttt -66.06 -34.18 77.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.87 173.33 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.536 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -103.32 -66.22 0.95 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.212 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.29 123.2 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.2 t -85.04 143.77 28.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.649 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.64 110.01 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 121.369 0.604 . . . . 1.0 111.116 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -159.04 150.0 20.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.67 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 p -93.95 164.75 12.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -36.77 81.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.781 -0.367 . . . . 1.0 110.118 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.86 -40.25 83.77 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -39.5 93.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.561 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.39 -43.17 98.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.125 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.4 -31.84 46.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.113 0.483 . . . . 1.0 111.593 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.31 -39.2 93.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.586 -0.733 . . . . 1.0 110.952 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.5 mmt 56.75 46.45 19.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.543 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 55' ' ' LYS . 35.9 t -77.79 -171.05 2.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OG ' ' A' ' 54' ' ' SER . 98.7 mttt -61.51 -39.49 91.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.059 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HB3' HD11 ' A' ' 12' ' ' LEU . 45.9 mmtm -60.67 -42.55 97.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.414 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 mmm -61.97 -40.23 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 1.0 110.633 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.58 -38.17 74.4 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.433 -0.507 . . . . 1.0 111.252 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.63 -44.05 78.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.902 -0.719 . . . . 1.0 110.835 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.34 -47.99 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 1.0 110.953 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.25 -43.7 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.987 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.519 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.02 -6.95 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.177 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.23 51.6 8.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.39 0.614 . . . . 1.0 110.005 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.565 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.6 t -117.88 125.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.87 156.49 27.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.817 -0.808 . . . . 1.0 108.817 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.446 ' H ' ' HB3' ' A' ' 93' ' ' SER . 70.2 t -117.28 129.25 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.885 0.374 . . . . 1.0 110.548 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.3 t -129.05 133.64 65.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.517 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 4.8 t -71.76 163.29 28.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.05 0.452 . . . . 1.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.62 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 57.0 mp0 -59.81 -40.56 88.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.866 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -42.65 -23.6 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.268 0.556 . . . . 1.0 110.427 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLU . 35.1 t80 -61.14 -41.96 97.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.968 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.1 -40.31 93.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.197 -0.668 . . . . 1.0 109.197 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.562 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.9 m-20 -63.15 -47.81 81.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 1.0 112.547 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.2 m -67.96 -38.9 80.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.768 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -63.34 -41.68 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.544 -0.753 . . . . 1.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.28 -67.95 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.166 0.507 . . . . 1.0 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' ASP . 10.3 p -70.01 147.05 50.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.461 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.54 7.55 46.26 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.186 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -50.67 156.28 0.96 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.129 -0.941 . . . . 1.0 112.252 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -71.46 152.12 43.36 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.645 -1.616 . . . . 1.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.84 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.871 -1.059 . . . . 1.0 111.529 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -60.26 -43.11 96.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.569 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 85' ' ' GLU . 42.6 mp0 -67.53 -40.48 85.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.402 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.47 -44.16 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 91' ' ' SER . 3.8 pp -78.29 -22.56 48.05 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.655 -0.418 . . . . 1.0 110.85 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.3 m -60.89 -42.82 98.72 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.777 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.0 -45.41 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.167 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.562 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 74.3 m-70 -67.08 -38.91 86.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 3.9 p -34.81 108.89 0.07 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.752 0.787 . . . . 1.0 112.299 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 69' ' ' CYS . 87.6 mt -91.71 -2.44 57.0 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.212 -1.358 . . . . 1.0 109.921 178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.562 ' OG ' ' CD2' ' A' ' 95' ' ' TRP . 26.8 t -132.88 148.78 52.29 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.301 0.572 . . . . 1.0 112.147 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.9 m -102.98 22.65 13.55 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.61 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.565 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 4.6 p90 -137.03 166.13 24.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.022 0.439 . . . . 1.0 110.937 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.643 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 155.98 54.69 0.01 OUTLIER Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.259 -0.736 . . . . 1.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.465 0.32 0 CA-C-O 120.681 0.276 . . . . 1.0 110.665 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.7 mttt . . . . . 0 N--CA 1.466 0.346 0 CA-C-O 120.582 0.229 . . . . 1.0 110.712 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 83.1 Cg_endo -79.01 -60.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.276 1.984 . . . . 1.0 112.158 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.8 mp -95.93 1.32 52.81 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.396 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -78.02 -6.92 56.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.312 . . . . 1.0 110.977 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -116.5 19.43 14.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.201 -0.454 . . . . 1.0 112.061 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 ptm -162.08 174.64 12.71 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 119.583 -0.847 . . . . 1.0 112.167 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -102.96 153.82 19.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.234 -0.894 . . . . 1.0 108.851 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mm -129.02 134.64 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.07 0.462 . . . . 1.0 111.867 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 tt -112.13 132.05 55.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.577 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p -103.59 123.33 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.734 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -62.01 -43.13 99.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.155 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.73 -123.69 1.19 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.67 134.58 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 110.24 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.74 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -139.55 -169.83 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.402 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -61.79 -44.55 96.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.782 -0.367 . . . . 1.0 111.815 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' NE2' HE21 ' A' ' 74' ' ' GLN . 37.0 mt-30 -74.57 139.11 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 1.0 110.142 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.502 HD22 ' CD ' ' A' ' 21' ' ' GLU . 40.2 m-80 -63.53 165.41 8.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.46 0.648 . . . . 1.0 110.512 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.92 -46.69 87.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.053 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.61 -41.56 68.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.214 0.53 . . . . 1.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.502 ' CD ' HD22 ' A' ' 18' ' ' ASN . 97.3 mt-10 -71.15 -45.01 64.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.251 0.834 . . . . 1.0 113.251 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.22 89.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 1.0 110.505 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -62.77 -42.19 99.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.533 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.02 98.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.326 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.428 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.2 tpp -65.73 -46.01 80.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.847 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.99 -44.54 99.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.045 0.45 . . . . 1.0 110.876 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.84 -32.92 70.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.383 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.56 -47.32 85.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.325 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 29' ' ' LEU . 8.4 mt -63.66 -40.32 96.54 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.022 0.915 . . . . 1.0 108.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.41 -1.11 3.62 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.083 -1.607 . . . . 1.0 109.083 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.08 146.98 47.57 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.218 -0.515 . . . . 1.0 111.885 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -127.55 149.02 50.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.056 -0.572 . . . . 1.0 110.448 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 34' ' ' THR . 94.0 mt -103.84 121.54 43.27 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.979 -0.748 . . . . 1.0 108.979 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 35' ' ' GLY . 1.3 m 175.61 161.02 0.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.449 ' N ' ' CG2' ' A' ' 34' ' ' THR . . . 109.44 133.23 6.66 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.435 -0.666 . . . . 1.0 111.435 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.6 m -61.12 -43.01 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 1.0 110.294 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -170.47 -79.29 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 22.3 t-20 -63.45 -32.11 73.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.981 0.363 . . . . 1.0 111.981 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -51.81 -33.39 35.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.5 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.217 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.8 t -95.5 -68.47 0.8 Allowed 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.819 -0.753 . . . . 1.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.591 HD22 ' HE ' ' A' ' 66' ' ' ARG . 83.0 mt -125.77 116.83 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.368 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.7 t -77.23 142.32 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.01 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.64 107.94 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.644 0.735 . . . . 1.0 110.263 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -151.72 134.97 15.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.961 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.3 p -87.65 166.56 14.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 1.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 16.4 tppt? -55.46 -41.29 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.737 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -54.76 -43.57 72.85 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.373 0.421 . . . . 1.0 110.509 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.5 -37.48 86.91 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.697 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.86 -23.44 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.922 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' LYS . 93.1 mt-10 -67.31 -36.4 81.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.772 0.796 . . . . 1.0 109.498 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -62.7 -42.62 99.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.186 -1.37 . . . . 1.0 112.867 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.68 44.85 28.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -72.82 175.94 6.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.744 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.97 85.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.144 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -61.49 -40.32 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -61.03 -39.1 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.86 -36.84 82.43 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.101 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.95 -45.01 94.46 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -63.89 -44.44 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.356 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.43 -45.83 92.24 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.09 67.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.74 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.558 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -87.16 -4.74 59.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.773 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 64' ' ' ASN . 2.2 m120 55.75 55.59 6.95 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.589 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.615 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.5 t -118.84 123.54 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.97 -0.381 . . . . 1.0 109.97 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HE ' HD22 ' A' ' 42' ' ' LEU . 57.5 ttp180 -59.2 158.11 9.51 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 91' ' ' SER . 50.9 t -114.66 133.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.927 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -122.69 133.33 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.0 t -71.89 154.05 41.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.176 0.512 . . . . 1.0 110.395 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 17' ' ' GLN . 84.7 tt0 -60.78 -34.99 75.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.147 -0.933 . . . . 1.0 111.859 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.77 -15.94 35.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.46 -42.09 95.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.27 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.83 -43.42 90.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.717 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.484 HE21 ' NE2' ' A' ' 17' ' ' GLN . 13.0 mt-30 -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.653 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.547 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 87.7 m-20 -63.21 -48.34 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.53 -42.75 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.721 -0.791 . . . . 1.0 109.797 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 p -64.33 -44.71 90.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.18 -49.02 38.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 1.0 111.052 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -122.14 136.32 54.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.951 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.03 66.83 0.73 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.801 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -92.88 -158.49 0.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.855 0.836 . . . . 1.0 110.662 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.6 m -76.41 139.4 40.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.962 -1.472 . . . . 1.0 110.983 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.9 tp -63.7 -43.02 97.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 1.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -62.23 -40.56 96.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.922 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -66.68 -41.93 87.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.113 -0.635 . . . . 1.0 110.684 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.15 -42.01 99.38 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 87' ' ' LEU . 3.2 pp -80.31 -4.58 53.95 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.083 -0.247 . . . . 1.0 110.831 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.5 p -64.01 -34.62 78.42 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.25 -37.08 3.11 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.635 0.606 . . . . 1.0 112.635 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.547 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 45.1 m-70 -66.47 -29.37 69.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.752 0.311 . . . . 1.0 111.331 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.645 ' C ' ' H ' ' A' ' 93' ' ' SER . 77.8 p -61.84 -24.56 66.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.926 0.713 . . . . 1.0 112.926 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 93' ' ' SER . 73.2 mt 70.74 -24.65 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.645 ' H ' ' C ' ' A' ' 91' ' ' SER . 26.2 t 52.96 123.22 0.0 OUTLIER 'General case' 0 C--N 1.341 0.212 0 CA-C-N 115.656 -0.702 . . . . 1.0 112.151 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB3' ' CE3' ' A' ' 95' ' ' TRP . 4.6 t -166.69 -56.27 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.101 -0.954 . . . . 1.0 110.405 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.615 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 42.9 p90 -151.83 -164.88 2.08 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.1 54.1 0.1 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.273 -0.731 . . . . 1.0 111.273 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.217 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 179.902 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.713 0.292 . . . . 1.0 110.235 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.72 -53.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.506 2.137 . . . . 1.0 113.867 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 9' ' ' ILE . 4.2 mm? -96.34 1.32 51.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.574 0.213 . . . . 1.0 111.574 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 6.5 m -78.56 128.11 33.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.744 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' SER . 12.3 m120 95.22 18.97 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.245 0.966 . . . . 1.0 110.423 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 4' ' ' LEU . 24.5 ptm -150.85 153.75 35.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.551 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.411 ' O ' ' OG ' ' A' ' 41' ' ' SER . 12.7 mptt -100.2 160.4 14.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.38 0.61 . . . . 1.0 110.128 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 4' ' ' LEU . 88.8 mt -129.14 151.56 35.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.409 -178.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -136.15 137.45 40.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.763 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.6 p -104.2 115.84 31.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.52 -0.918 . . . . 1.0 108.52 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 56' ' ' LYS . 42.7 tp -82.47 -77.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 1.0 111.202 -178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.7 -154.2 30.01 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.226 -0.511 . . . . 1.0 111.946 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -56.2 147.59 20.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -0.599 . . . . 1.0 111.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -106.92 127.34 53.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.87 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.0 m -62.33 -43.78 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.488 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 9.8 mt-30 -68.68 170.08 10.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.419 -0.81 . . . . 1.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.41 HD22 ' CD ' ' A' ' 21' ' ' GLU . 68.7 m-80 -77.01 -147.54 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.176 -0.61 . . . . 1.0 109.426 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD3' ' HZ1' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -105.42 -58.79 1.85 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.845 0.355 . . . . 1.0 110.543 -179.263 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.86 -36.77 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.098 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.41 ' CD ' HD22 ' A' ' 18' ' ' ASN . 95.1 mt-10 -70.16 -45.84 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 17' ' ' GLN . . . -60.93 -46.26 91.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.868 -0.733 . . . . 1.0 109.696 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HZ1' ' HD3' ' A' ' 19' ' ' LYS . 98.1 mttt -63.11 -43.39 98.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.186 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.63 95.73 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.499 -0.481 . . . . 1.0 110.653 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -42.08 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.532 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.28 -44.38 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.628 -0.429 . . . . 1.0 112.132 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.03 -33.66 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.43 -0.508 . . . . 1.0 112.308 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.26 -43.65 95.97 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.596 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -63.48 -41.88 98.58 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.309 1.052 . . . . 1.0 109.446 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.57 -7.52 4.59 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.94 -2.064 . . . . 1.0 107.94 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 149.0 42.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -132.54 151.52 51.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.862 0.363 . . . . 1.0 110.448 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.18 119.72 39.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.34 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 35' ' ' GLY . 1.8 t 173.87 173.9 0.16 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.437 ' N ' ' OG1' ' A' ' 34' ' ' THR . . . 103.41 141.67 11.49 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.147 -0.479 . . . . 1.0 112.355 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -41.71 61.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.107 0.48 . . . . 1.0 110.154 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.78 -80.25 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.345 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 20.0 t-20 -63.68 -28.92 70.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.72 -35.74 68.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.55 161.38 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 89.2 p -98.37 -61.38 1.39 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 119.992 -0.683 . . . . 1.0 109.772 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.94 116.76 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.008 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 44' ' ' ILE . 2.8 t -82.01 154.94 25.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.452 -0.795 . . . . 1.0 110.264 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 46.9 mm -100.36 113.47 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 121.172 0.511 . . . . 1.0 110.577 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.9 m -159.45 159.53 33.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.783 . . . . 1.0 110.277 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -122.57 172.9 8.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.447 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.586 ' HG2' HD22 ' A' ' 92' ' ' LEU . 26.0 mmtt -57.06 -42.21 80.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.188 0.518 . . . . 1.0 109.64 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.93 -9.54 0.13 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.501 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 47' ' ' LYS . 94.6 mt-10 -113.77 -42.89 3.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.149 0.499 . . . . 1.0 110.211 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.41 -42.35 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.711 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.95 -31.48 60.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.718 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -65.03 -38.44 90.89 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.78 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.5 mmt 58.26 50.51 9.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.189 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 p -81.26 177.35 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.992 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.51 -37.27 80.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.793 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 12' ' ' LEU . 75.6 mmtt -59.28 -42.56 91.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.898 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.3 -38.67 92.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.368 0.604 . . . . 1.0 109.695 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -38.01 81.74 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.019 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.54 -46.11 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.77 0.319 . . . . 1.0 110.329 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.11 -44.87 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.22 -0.659 . . . . 1.0 109.22 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.99 -45.13 94.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 111.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.64 60.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.0 109.797 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.95 0.15 55.92 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.506 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' A' ' 64' ' ' ASN . 4.6 m120 56.49 54.01 7.98 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.565 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.561 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 72.8 t -124.56 115.82 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.828 0.347 . . . . 1.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -62.84 158.05 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' SER . 47.8 t -116.44 134.49 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.816 0.341 . . . . 1.0 111.372 -177.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -127.18 132.25 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 151.33 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.177 0.513 . . . . 1.0 110.585 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.553 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 59.4 mp0 -46.15 -26.76 0.82 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.871 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.3 -18.86 65.0 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.28 -43.91 96.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.594 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.3 mt -62.03 -43.11 99.53 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.152 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 3.3 mp0 -72.37 -34.79 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.47 -47.68 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.467 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.9 m -68.42 -38.35 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.396 0.617 . . . . 1.0 110.742 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.1 p -61.24 -40.03 92.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.533 -0.758 . . . . 1.0 110.808 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -66.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.811 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.478 ' OG ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 t -68.42 -38.37 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.712 -178.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 53.56 31.44 12.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 1.0 110.894 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.478 ' CD ' ' OG ' ' A' ' 79' ' ' SER . 47.3 mtpt -68.39 -175.08 0.59 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.963 0.887 . . . . 1.0 112.697 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 150.7 43.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.577 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.79 -41.1 99.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 1.0 110.902 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.14 -41.45 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.879 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.96 -41.92 86.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 1.0 110.97 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.25 -41.92 99.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.268 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 87' ' ' LEU . 4.0 pp -79.33 -5.13 53.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 1.0 110.564 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.441 ' N ' HD12 ' A' ' 87' ' ' LEU . 18.6 m -61.49 -40.49 94.75 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.07 -20.9 5.19 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.814 0.672 . . . . 1.0 112.814 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -87.92 -7.5 57.06 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 93' ' ' SER . 69.5 p -60.2 -30.15 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 1.0 112.194 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.586 HD22 ' HG2' ' A' ' 47' ' ' LYS . 81.8 mt 43.92 13.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.065 0.459 . . . . 1.0 110.774 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 91' ' ' SER . 4.0 t -154.41 171.72 18.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.634 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.426 ' N ' ' OG ' ' A' ' 93' ' ' SER . 19.7 m -134.13 28.99 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.739 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.561 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 24.4 p90 -141.4 167.45 22.13 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.04 59.13 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.184 -1.166 . . . . 1.0 110.184 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.38 0 CA-C-O 120.758 0.313 . . . . 1.0 110.95 -179.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 18.0 tptt . . . . . 0 CA--C 1.536 0.422 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.481 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 95.2 Cg_endo -89.1 -57.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.998 0 C-N-CA 121.446 1.43 . . . . 1.0 113.804 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 29' ' ' LEU . 90.4 mt -99.3 -2.63 35.98 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -65.04 -34.8 79.29 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -98.71 13.37 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.513 0.56 . . . . 1.0 112.513 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.51 158.74 44.32 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.302 -0.559 . . . . 1.0 111.942 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -104.23 153.42 21.01 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.2 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 mm -121.41 137.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.739 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -110.25 133.12 53.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -118.37 125.79 50.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.62 -0.263 . . . . 1.0 111.069 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.52 ' CD1' ' SG ' ' A' ' 43' ' ' CYS . 9.2 mp -62.25 -42.1 99.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.33 -68.17 0.27 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.93 130.77 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD11 ' OE2' ' A' ' 70' ' ' GLU . 23.3 tp -131.72 133.1 44.46 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -61.26 -44.6 96.97 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.873 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 5.4 mt-30 -57.42 172.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.546 HD22 ' CD ' ' A' ' 21' ' ' GLU . 66.9 m-80 -74.26 -76.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.68 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 -63.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 1.0 109.967 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.68 -38.96 93.07 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.536 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.546 ' CD ' HD22 ' A' ' 18' ' ' ASN . 20.8 pt-20 -68.91 -40.99 78.78 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.867 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 21' ' ' GLU . . . -59.44 -50.88 72.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.059 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.58 -43.84 97.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.978 -1.01 . . . . 1.0 111.266 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.54 74.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.877 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 ptm -67.87 -41.18 83.25 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 120.033 -0.667 . . . . 1.0 112.247 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.701 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.62 -30.65 59.59 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.3 -44.81 92.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.981 0.42 . . . . 1.0 110.628 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 4' ' ' LEU . 78.0 mt -62.74 -39.78 95.16 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 107.786 -1.191 . . . . 1.0 107.786 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.59 0.91 7.2 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 107.377 -2.289 . . . . 1.0 107.377 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.85 154.32 36.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -139.03 153.29 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.109 -0.33 . . . . 1.0 110.109 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -95.57 125.75 40.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.352 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 119.46 34.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.136 0.493 . . . . 1.0 110.754 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -37.4 85.86 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.765 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 m -64.28 142.41 58.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.556 0.217 . . . . 1.0 110.653 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -91.69 157.2 17.08 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.364 -0.38 . . . . 1.0 109.996 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 7.6 t-20 72.72 -35.93 0.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.359 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 37' ' ' ALA . 65.4 tttm -64.78 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.381 0.61 . . . . 1.0 109.48 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.73 176.74 2.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.277 -0.874 . . . . 1.0 110.262 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.7 m -106.84 -68.08 0.91 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.49 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.05 120.94 38.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 1.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 12' ' ' LEU . 5.4 t -80.05 151.87 29.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.723 -1.126 . . . . 1.0 110.069 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.424 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 11.7 mm -102.23 108.9 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 8.1 t -158.72 136.21 10.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.771 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -90.6 167.2 12.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.322 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 92' ' ' LEU . 18.8 mmtt -56.03 -39.92 72.69 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.161 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 32.5 mtmm -55.96 -42.87 76.89 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.371 -0.932 . . . . 1.0 109.098 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -71.04 -43.55 67.61 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.67 -42.45 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.914 0.387 . . . . 1.0 110.555 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.23 -33.35 63.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 53.6 mttt -64.79 -38.41 90.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.574 0.226 . . . . 1.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.9 mmt 60.51 54.35 3.82 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.769 -0.65 . . . . 1.0 109.97 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -82.66 -176.34 6.22 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.292 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.92 -43.77 94.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.45 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.66 -41.12 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 1.0 110.233 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.148 -0.686 . . . . 1.0 109.148 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -39.19 78.78 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.333 -0.848 . . . . 1.0 109.558 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 3.7 mm-40 -65.87 -42.58 90.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.77 -47.98 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.185 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -63.52 -44.36 94.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 1.0 110.62 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.25 -10.84 59.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.971 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.538 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.57 -2.73 53.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.167 -0.309 . . . . 1.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m120 57.68 56.24 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.232 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.541 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 54.0 t -125.24 125.97 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.199 -0.667 . . . . 1.0 109.199 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -64.64 151.46 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.18 131.95 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.165 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.81 157.43 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 0.8 OUTLIER -79.27 155.38 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 179.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.535 ' OE2' HD11 ' A' ' 15' ' ' LEU . 79.7 tt0 -61.11 -34.17 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.857 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -49.42 -14.25 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.497 ' N ' ' C ' ' A' ' 70' ' ' GLU . 10.5 t80 -59.89 -41.03 90.7 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 1.0 108.916 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.421 ' CD2' HD11 ' A' ' 4' ' ' LEU . 93.4 mt -59.56 -42.07 91.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.036 -0.727 . . . . 1.0 109.036 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -65.97 -39.11 90.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.194 0.521 . . . . 1.0 110.297 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.567 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.7 m-20 -62.14 -48.61 79.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.461 -0.791 . . . . 1.0 112.504 -178.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.423 HG13 ' CE1' ' A' ' 72' ' ' PHE . 18.9 m -70.0 -37.87 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.716 0.769 . . . . 1.0 109.673 179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.8 t -62.2 -43.45 98.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.572 -1.195 . . . . 1.0 110.64 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.76 -63.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.018 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -105.92 125.04 50.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.34 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.31 69.21 0.74 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HZ2' ' HG ' ' A' ' 86' ' ' LEU . 22.9 pttp -103.04 -153.3 0.47 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.582 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.5 t -63.39 132.36 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.067 0.46 . . . . 1.0 111.443 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.49 -42.8 95.64 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.067 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -58.56 -42.36 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 113.647 -1.615 . . . . 1.0 111.015 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 88' ' ' SER . 81.7 tt0 -66.42 -38.87 88.41 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.829 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' HZ2' ' A' ' 81' ' ' LYS . 93.1 mt -64.52 -44.0 92.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.318 -0.553 . . . . 1.0 111.961 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.434 ' O ' ' OG ' ' A' ' 91' ' ' SER . 3.7 pp -80.87 -17.07 51.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.642 -0.423 . . . . 1.0 111.563 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 76.2 p -63.32 -40.31 96.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.336 -0.546 . . . . 1.0 110.638 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.42 -21.96 15.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.765 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.567 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 39.8 m-70 -90.47 -11.43 40.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.004 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 3.1 p -67.38 94.22 0.38 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.708 0.766 . . . . 1.0 111.013 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 47' ' ' LYS . 83.0 mt -69.83 -21.48 63.37 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.273 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.8 m -126.46 156.05 41.28 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.283 0.563 . . . . 1.0 111.486 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 p -104.88 24.11 12.41 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.527 -0.76 . . . . 1.0 111.004 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.541 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.5 p90 -132.3 173.39 11.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.673 0.273 . . . . 1.0 110.693 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 97' ' ' ALA . . . 158.77 -7.61 0.16 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.736 -0.745 . . . . 1.0 112.42 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.466 0.365 0 N-CA-C 110.482 -0.192 . . . . 1.0 110.482 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.748 0.277 . . . . 1.0 111.748 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.18 -56.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 121.859 1.706 . . . . 1.0 112.38 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.507 HD12 HD11 ' A' ' 9' ' ' ILE . 4.2 mm? -99.26 0.85 43.97 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.775 -0.193 . . . . 1.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 29' ' ' LEU . 6.5 m -79.17 -7.77 58.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.219 0.452 . . . . 1.0 112.219 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -114.85 14.84 17.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.637 0.256 . . . . 1.0 111.254 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.402 ' SD ' HD13 ' A' ' 4' ' ' LEU . 16.7 ptm -152.98 160.89 43.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.063 0.458 . . . . 1.0 111.373 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -100.37 155.67 17.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.31 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.507 HD11 HD12 ' A' ' 4' ' ' LEU . 96.0 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 115.883 -0.599 . . . . 1.0 112.538 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -120.93 137.61 54.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.189 -0.914 . . . . 1.0 110.395 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -99.68 112.31 24.55 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.9 tt -64.0 -43.3 96.07 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.6 -94.08 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.54 -0.838 . . . . 1.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.79 131.87 45.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 1.0 110.35 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.73 131.44 53.79 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.271 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -61.73 -46.71 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.605 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.59 170.91 12.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.598 HD21 ' CD ' ' A' ' 21' ' ' GLU . 18.2 p30 -91.89 169.96 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.113 0.482 . . . . 1.0 110.544 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -49.95 -71.8 0.06 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.508 0.929 . . . . 1.0 113.508 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.19 -48.34 79.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.777 1.028 . . . . 1.0 113.777 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.598 ' CD ' HD21 ' A' ' 18' ' ' ASN . 48.9 mt-10 -69.71 -41.69 75.03 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.205 -0.598 . . . . 1.0 112.53 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.2 -49.55 75.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.755 0.788 . . . . 1.0 109.38 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.06 -43.7 97.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.4 -1.273 . . . . 1.0 110.272 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.68 85.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.864 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.0 tpp -62.9 -44.75 95.24 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.009 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.24 -44.71 99.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -70.88 -31.6 68.31 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.672 -0.411 . . . . 1.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -59.66 -45.86 90.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.36 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 5' ' ' SER . 12.7 mt -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.123 0.963 . . . . 1.0 109.147 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.27 -3.64 4.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.237 -1.945 . . . . 1.0 108.237 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.98 151.64 41.38 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -132.47 150.95 52.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.681 0.276 . . . . 1.0 110.46 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' O ' ' OG1' ' A' ' 34' ' ' THR . 90.0 mt -101.38 107.08 18.32 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 3.5 m -170.27 164.07 8.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.151 0.501 . . . . 1.0 111.276 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' HG22 ' A' ' 34' ' ' THR . . . 101.2 128.3 6.34 Favored Glycine 0 CA--C 1.522 0.501 0 CA-C-N 115.397 -0.82 . . . . 1.0 111.186 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.2 p -68.06 -38.35 82.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.471 0.177 . . . . 1.0 111.073 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.37 -89.33 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 120.908 -0.317 . . . . 1.0 111.367 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.34 -31.02 72.05 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -52.37 -35.34 51.13 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.247 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 174.28 7.03 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.109 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.58 ' C ' HD12 ' A' ' 42' ' ' LEU . 9.9 t -100.88 -76.92 0.55 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.214 0.531 . . . . 1.0 109.911 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.632 HD21 HH21 ' A' ' 66' ' ' ARG . 8.6 mp -116.23 123.58 48.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.353 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 t -82.63 143.71 30.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.785 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.514 HD13 HG13 ' A' ' 68' ' ' VAL . 4.6 mm -91.85 109.55 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.166 0.508 . . . . 1.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -154.0 139.96 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.655 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.5 p -84.01 168.97 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -61.85 -37.48 84.64 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -58.94 -41.1 86.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.461 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -65.8 -41.0 92.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 1.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.66 -42.15 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.773 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -53.73 -29.51 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 1.0 111.431 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.788 -0.642 . . . . 1.0 111.819 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.7 mmt 57.29 47.3 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.381 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -74.96 174.87 8.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.135 -0.939 . . . . 1.0 110.887 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -59.82 -37.88 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.636 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -63.1 -40.73 98.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.869 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -61.73 -40.17 94.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.984 0.421 . . . . 1.0 110.744 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.44 -31.84 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.622 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 19.8 mt-10 -66.2 -45.49 80.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.706 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.4 -46.35 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.523 . . . . 1.0 109.726 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -63.97 -44.5 92.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.588 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.48 -11.26 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.221 0.534 . . . . 1.0 110.563 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . -95.05 0.51 54.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.179 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' A' ' 64' ' ' ASN . 7.5 m120 57.91 57.03 4.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.205 0.526 . . . . 1.0 110.679 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 67.3 t -124.13 116.39 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.503 -0.771 . . . . 1.0 109.732 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.632 HH21 HD21 ' A' ' 42' ' ' LEU . 56.1 ttp180 -65.9 157.02 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.22 132.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.4 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.514 HG13 HD13 ' A' ' 44' ' ' ILE . 13.7 p -122.8 134.27 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.781 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.54 159.96 27.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.27 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -63.4 -33.93 76.62 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.211 0.449 . . . . 1.0 112.211 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -59.11 -15.88 16.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.107 -0.637 . . . . 1.0 109.332 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -61.04 -41.91 97.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.403 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.77 -42.44 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.222 -0.899 . . . . 1.0 110.396 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -67.27 -40.05 86.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.423 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 95.2 m-20 -63.06 -47.99 80.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.99 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.74 -37.6 77.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.74 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.8 p -62.62 -38.31 89.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.864 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.26 -64.83 1.1 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.608 0.595 . . . . 1.0 112.608 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' ASP . 2.6 m -61.13 -41.61 97.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.864 -0.607 . . . . 1.0 112.258 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 50.78 42.07 27.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.036 0.384 . . . . 1.0 112.036 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -79.71 -168.35 1.55 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.82 0.819 . . . . 1.0 111.389 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.5 m -73.41 144.03 46.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.113 -1.403 . . . . 1.0 109.668 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 83' ' ' LEU . 5.9 mp -63.22 -42.52 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.369 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -60.67 -44.89 95.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.772 -0.371 . . . . 1.0 111.505 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -67.3 -37.79 83.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.339 0.59 . . . . 1.0 109.646 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 41.2 mt -63.52 -42.87 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.575 -0.739 . . . . 1.0 112.314 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD22 HH12 ' A' ' 66' ' ' ARG . 3.4 pp -82.37 -11.07 58.8 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.099 -0.64 . . . . 1.0 110.432 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -62.67 -41.52 99.12 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.456 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.98 -28.24 9.69 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.606 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 35.1 m-70 -80.28 -21.71 42.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.676 -0.41 . . . . 1.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 93' ' ' SER . 27.2 t -61.95 122.54 15.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.053 0.93 . . . . 1.0 110.033 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 mt -98.64 2.84 47.63 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 113.664 -1.607 . . . . 1.0 110.363 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 91' ' ' SER . 27.3 p -148.76 160.88 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.441 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -116.7 38.72 3.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.92 0.39 . . . . 1.0 111.346 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.559 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.8 p90 -142.08 163.31 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.791 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 149.2 54.71 0.02 OUTLIER Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 1.0 110.332 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.2 mttm . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.666 0.27 . . . . 1.0 110.755 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.11 -51.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.431 2.088 . . . . 1.0 112.713 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.749 HD12 HD12 ' A' ' 29' ' ' LEU . 75.2 mt -104.35 3.21 32.17 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 1.0 112.269 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -70.98 -17.26 62.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.54 -0.464 . . . . 1.0 111.707 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -104.74 3.92 31.85 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 121.05 -0.26 . . . . 1.0 111.651 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.0 ptm -147.72 166.39 27.61 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.788 -0.765 . . . . 1.0 112.421 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.474 ' O ' ' OG ' ' A' ' 41' ' ' SER . 13.9 mptt -101.39 175.45 5.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 114.809 -1.087 . . . . 1.0 108.553 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.6 mm -140.75 152.06 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.49 140.66 50.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.922 0.392 . . . . 1.0 110.742 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -109.61 104.55 13.59 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.594 -0.891 . . . . 1.0 108.594 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 12' ' ' LEU . 39.0 tp -63.27 -42.66 99.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.688 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' LYS . . . 169.04 158.71 13.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.264 -0.735 . . . . 1.0 111.264 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 13' ' ' GLY . 59.9 tttm 56.17 152.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 1.0 111.065 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.7 tp -167.49 127.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.494 -0.483 . . . . 1.0 110.456 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 t -65.02 -43.32 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 1.0 110.636 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.634 ' NE2' ' NE2' ' A' ' 74' ' ' GLN . 48.5 mt-30 -67.77 150.29 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.407 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -73.58 160.3 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 19.4 ptmt -56.89 -47.07 81.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.629 -0.829 . . . . 1.0 111.079 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 46.6 t0 -65.06 -47.81 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.42 -43.82 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.217 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.78 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.26 0.552 . . . . 1.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' NZ ' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.18 -43.0 99.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.231 -178.08 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 23' ' ' LYS . . . -60.17 -49.8 76.21 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.432 -0.507 . . . . 1.0 111.176 -179.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 ptm -66.51 -39.62 88.76 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.973 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.91 -44.22 99.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.829 -0.349 . . . . 1.0 111.916 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.79 -23.89 52.87 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.14 -45.93 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.193 0.521 . . . . 1.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.749 HD12 HD12 ' A' ' 4' ' ' LEU . 31.0 mt -63.81 -40.29 96.29 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 122.38 1.086 . . . . 1.0 109.282 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.08 -1.57 5.82 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 107.548 -2.221 . . . . 1.0 107.548 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 152.52 32.59 Favored Glycine 0 C--N 1.34 0.765 0 N-CA-C 110.238 -1.145 . . . . 1.0 110.238 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -141.16 150.44 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.644 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -97.23 138.3 34.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.9 t -135.49 161.17 36.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.446 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -87.18 -133.94 3.98 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.4 t 38.43 -146.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.01 -66.37 0.38 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.026 -0.27 . . . . 1.0 110.301 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -62.58 -25.6 68.16 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.423 0.527 . . . . 1.0 112.423 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -58.66 -36.26 73.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.48 167.97 20.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.722 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 30.0 p -102.1 -69.63 0.78 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.312 0.577 . . . . 1.0 109.551 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.89 119.45 37.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.756 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.0 t -84.16 138.44 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.016 -0.993 . . . . 1.0 110.599 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.69 111.84 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.533 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -164.62 147.74 8.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.652 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 p -90.48 164.73 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -39.9 89.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.56 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.82 -43.93 77.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.56 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -62.74 -40.39 97.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.378 0.609 . . . . 1.0 109.85 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.42 -43.28 96.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.317 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -56.98 -19.21 16.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.782 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -63.49 -40.75 97.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.8 mmt 52.45 48.0 23.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.116 -0.947 . . . . 1.0 110.112 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -85.41 179.88 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.13 -41.57 92.97 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.254 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.46 -42.87 92.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -39.17 92.14 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.525 -0.546 . . . . 1.0 109.525 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -36.82 76.35 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.997 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -63.86 -42.12 97.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.206 0.527 . . . . 1.0 109.874 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.6 -44.62 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.576 -0.898 . . . . 1.0 108.576 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.2 -48.31 80.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.624 -1.171 . . . . 1.0 112.098 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.95 60.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.082 0.468 . . . . 1.0 110.617 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.83 -2.01 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.467 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.441 ' HB3' ' H ' ' A' ' 97' ' ' ALA . 7.1 m120 58.17 55.45 5.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.96 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.573 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 79.7 t -122.48 124.42 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -70.82 156.51 39.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' SER . 41.6 t -108.64 131.44 59.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.53 140.32 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.296 0.57 . . . . 1.0 111.309 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.1 p -67.78 153.73 43.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.464 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.413 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 77.1 tt0 -65.51 -33.59 76.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.898 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.27 -14.12 10.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 76' ' ' VAL . 42.7 t80 -59.66 -42.53 93.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.462 -0.79 . . . . 1.0 111.112 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.31 -42.18 90.77 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.032 -0.729 . . . . 1.0 109.032 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.634 ' NE2' ' NE2' ' A' ' 17' ' ' GLN . 2.4 mp0 -72.26 -33.73 67.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 1.0 111.28 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 79' ' ' SER . 92.6 m-20 -64.36 -47.62 78.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.415 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.436 HG11 ' CE1' ' A' ' 72' ' ' PHE . 28.7 m -66.75 -39.27 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.569 -0.853 . . . . 1.0 109.511 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.604 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.79 -67.18 0.87 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.253 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.8 m -64.57 143.21 58.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.257 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.82 27.5 8.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.583 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -72.46 -164.01 0.14 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.827 0.822 . . . . 1.0 110.65 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -77.77 145.07 36.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.979 -1.464 . . . . 1.0 110.519 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.4 -43.53 97.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.194 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -66.2 -40.97 90.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.947 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.83 -32.88 74.65 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.899 0.38 . . . . 1.0 110.82 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.47 -39.76 94.47 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.744 -0.382 . . . . 1.0 110.267 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 91' ' ' SER . 10.8 mt -62.94 -26.0 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.331 0.586 . . . . 1.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 m -51.01 -38.69 52.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.168 -0.923 . . . . 1.0 110.806 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.06 10.8 17.53 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.229 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.423 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 46.1 m-70 -131.75 -4.42 3.65 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.998 -0.281 . . . . 1.0 111.738 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 93' ' ' SER . 67.8 m -59.17 -40.17 84.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.404 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.7 mt 46.21 4.56 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.528 -0.305 . . . . 1.0 111.604 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 91' ' ' SER . 12.1 t -155.06 161.25 41.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.62 -0.264 . . . . 1.0 110.694 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -114.32 8.93 16.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.573 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 29.3 p90 -123.25 171.0 9.7 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.04 0.447 . . . . 1.0 111.218 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.651 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 143.21 64.7 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.389 -1.084 . . . . 1.0 110.389 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . . . . . . 0 N--CA 1.465 0.284 0 CA-C-O 121.332 0.587 . . . . 1.0 110.174 -179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.742 0.306 . . . . 1.0 110.288 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.59 -54.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.684 2.256 . . . . 1.0 112.129 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 29' ' ' LEU . 96.7 mt -103.01 -2.19 28.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 86.3 p -84.1 90.46 7.47 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.665 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 5' ' ' SER . 10.4 p30 147.85 -6.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.386 1.054 . . . . 1.0 109.021 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 ptm -134.27 151.16 51.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.909 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -93.51 155.1 17.52 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 HD13 ' A' ' 4' ' ' LEU . 91.3 mt -128.5 153.81 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.569 0.952 . . . . 1.0 113.569 -176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.414 ' N ' HG22 ' A' ' 9' ' ' ILE . 7.1 tt -133.73 150.42 51.49 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.312 -1.313 . . . . 1.0 110.28 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -133.41 144.13 49.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 56' ' ' LYS . 15.9 tp -116.6 124.04 48.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.164 0.507 . . . . 1.0 112.025 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.64 -130.53 45.96 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.516 -0.766 . . . . 1.0 113.808 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -60.6 137.32 58.19 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.372 -0.914 . . . . 1.0 113.226 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.6 tp -124.45 128.59 49.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.604 -1.18 . . . . 1.0 109.468 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -61.48 -43.62 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.132 0.492 . . . . 1.0 110.339 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.437 HE22 HD12 ' A' ' 73' ' ' LEU . 28.0 mt-30 -73.0 148.75 43.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.806 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -78.99 -161.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.671 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.73 -71.44 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.606 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.65 -43.61 97.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.998 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -38.69 92.03 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.836 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 -65.59 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.876 -0.73 . . . . 1.0 111.464 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.17 -40.32 85.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.468 0.544 . . . . 1.0 112.468 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.53 95.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.833 -0.747 . . . . 1.0 112.067 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.4 ptm -72.0 -38.64 69.6 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.035 -0.666 . . . . 1.0 111.94 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.87 -44.85 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.746 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.29 -23.06 61.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.521 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.59 -48.48 81.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.354 0.597 . . . . 1.0 109.452 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 4' ' ' LEU . 41.0 mt -65.13 -41.43 94.84 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.147 0.975 . . . . 1.0 109.73 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.8 -5.5 5.79 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 108.293 -1.923 . . . . 1.0 108.293 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.77 151.6 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.656 -0.977 . . . . 1.0 110.656 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -135.11 155.67 50.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.954 0.407 . . . . 1.0 110.752 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.8 127.88 49.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.799 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -88.98 166.51 13.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.493 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.15 13.88 26.13 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 p -151.43 163.43 39.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.788 0.328 . . . . 1.0 110.525 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.574 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -80.75 161.61 24.47 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.518 0.675 . . . . 1.0 112.204 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 11.3 t-20 62.34 -22.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.687 -1.142 . . . . 1.0 112.247 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' A' ' 37' ' ' ALA . 32.1 tptt -62.32 -35.88 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.3 -173.72 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.087 -0.96 . . . . 1.0 110.133 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.637 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.3 p -120.2 -47.63 2.36 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.725 HD23 HG11 ' A' ' 68' ' ' VAL . 11.0 mp -118.11 124.21 47.48 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 1.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.58 137.23 32.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.109 . . . . 1.0 110.055 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -91.7 108.78 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.306 0.574 . . . . 1.0 110.812 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -161.9 156.49 22.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.374 -0.83 . . . . 1.0 110.038 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.468 ' CG2' ' OE1' ' A' ' 70' ' ' GLU . 55.2 p -112.24 167.74 10.17 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' VAL . 14.5 mmtt -50.74 -47.72 59.24 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 120.295 -0.562 . . . . 1.0 110.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' LYS . 25.4 mtpp -38.85 -43.51 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.232 0.333 . . . . 1.0 110.35 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -71.3 -43.63 66.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.119 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.721 ' O ' ' SD ' ' A' ' 53' ' ' MET . 5.5 t -67.96 -20.41 25.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.353 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.69 -38.92 87.76 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 120.854 -1.154 . . . . 1.0 108.573 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -71.14 -44.4 65.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.747 -1.115 . . . . 1.0 112.685 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' MET . . . . . 0.721 ' SD ' ' O ' ' A' ' 50' ' ' VAL . 11.4 mmm 52.23 59.17 4.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.9 -0.778 . . . . 1.0 108.9 -176.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.8 m -80.26 -174.06 4.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.596 -1.183 . . . . 1.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -60.45 -37.97 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.986 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HB3' HD11 ' A' ' 12' ' ' LEU . 75.2 mmtt -61.03 -40.17 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.21 -39.95 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.187 0.518 . . . . 1.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.63 -33.6 66.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.91 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 18.6 mm-40 -64.36 -45.79 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.55 -46.34 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.194 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.29 -44.27 96.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.653 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.24 2.58 35.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.713 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.516 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -105.82 -10.53 16.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.79 0.329 . . . . 1.0 110.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.5 ' CG ' ' H ' ' A' ' 97' ' ' ALA . 3.0 t-20 62.35 59.78 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.743 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.532 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 81.0 t -127.68 126.9 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.535 HH21 HD11 ' A' ' 42' ' ' LEU . 46.7 ttp180 -65.99 145.21 56.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.437 -0.579 . . . . 1.0 109.437 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -106.57 132.45 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.405 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.725 HG11 HD23 ' A' ' 42' ' ' LEU . 26.9 m -130.54 156.88 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.919 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.25 160.16 18.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.454 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.468 ' OE1' ' CG2' ' A' ' 46' ' ' THR . 54.9 mp0 -63.46 -35.62 81.06 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.57 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.79 -12.47 24.53 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.94 -44.35 97.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.225 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 4' ' ' LEU . 94.7 mt -61.4 -41.0 96.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.324 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -65.15 -39.39 92.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.811 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.555 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 88.9 m-20 -62.33 -50.19 72.6 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.453 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.73 -37.68 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.726 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.0 m -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.073 -0.967 . . . . 1.0 111.122 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.3 -60.02 1.82 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' ASP . 5.8 p -60.42 -43.83 96.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.682 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 49.53 34.11 6.54 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -78.5 -168.78 1.46 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.661 0.743 . . . . 1.0 111.381 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.6 m -63.34 142.05 58.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.596 -1.184 . . . . 1.0 109.674 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.405 ' H ' HD12 ' A' ' 83' ' ' LEU . 4.5 mp -63.28 -42.92 99.14 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.469 -0.493 . . . . 1.0 111.355 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -64.99 -40.09 94.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.546 -0.297 . . . . 1.0 111.052 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' OG ' ' A' ' 88' ' ' SER . 83.0 tt0 -63.34 -35.92 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.618 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.85 -40.26 96.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 91' ' ' SER . 7.4 mt -63.93 -29.24 70.43 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.469 -0.937 . . . . 1.0 108.469 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 24.6 p -57.98 -35.67 71.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.822 -1.081 . . . . 1.0 111.098 -176.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.28 -0.06 15.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.275 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' HIS . . . . . 0.555 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 56.4 m-70 -129.94 4.56 4.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.446 0.536 . . . . 1.0 112.446 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.7 p -75.57 99.4 4.26 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.518 0.675 . . . . 1.0 110.526 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.09 -11.33 50.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.004 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -148.68 155.51 41.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.839 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.3 p -106.69 -0.69 23.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' TRP . . . . . 0.532 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 6.8 p90 -101.44 168.45 9.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.707 -0.224 . . . . 1.0 110.824 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.88 59.06 0.07 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.36 -0.696 . . . . 1.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 1.0 111.649 179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.29 -0.633 . . . . 1.0 109.29 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.535 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 53.7 mttm -140.8 44.01 0.61 Allowed Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.182 -0.463 . . . . 1.0 111.084 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 53.8 Cg_endo -67.86 -52.1 0.57 Allowed 'Trans proline' 0 N--CA 1.496 1.652 0 C-N-CA 122.298 1.999 . . . . 1.0 112.49 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.463 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.4 mm? -95.0 -3.98 47.44 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 111.848 0.314 . . . . 1.0 111.848 -179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -66.97 -17.53 64.96 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.841 0.682 . . . . 1.0 112.841 -178.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -100.54 7.98 43.75 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 121.086 -0.246 . . . . 1.0 111.419 -178.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.411 ' HE3' HD13 ' A' ' 42' ' ' LEU . 19.4 ptm -150.22 153.13 35.7 Favored 'General case' 0 N--CA 1.463 0.214 0 C-N-CA 120.336 -0.546 . . . . 1.0 112.092 -178.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -89.23 156.27 18.87 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.878 -0.601 . . . . 1.0 109.495 178.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 28.3 mm -132.23 150.03 33.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.857 0.837 . . . . 1.0 112.936 -178.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.7 tt -139.3 139.0 37.2 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 114.156 -1.384 . . . . 1.0 108.636 179.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.4 t -126.63 127.97 46.04 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-O 121.235 0.541 . . . . 1.0 111.128 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 58.2 tp -118.3 125.09 49.36 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 115.218 -0.901 . . . . 1.0 110.338 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 79.12 178.59 51.12 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.599 -0.6 . . . . 1.0 111.599 179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -75.71 138.8 41.53 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.153 0.502 . . . . 1.0 111.338 -179.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -123.48 172.38 8.77 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-N 115.417 -0.81 . . . . 1.0 110.221 179.55 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 52.5 m -58.74 -42.56 89.1 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.836 -0.346 . . . . 1.0 111.328 -178.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.455 ' O ' HD21 ' A' ' 15' ' ' LEU . 1.5 mp0 -74.36 136.51 42.49 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.599 -0.44 . . . . 1.0 109.942 179.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.577 HD22 ' CD ' ' A' ' 21' ' ' GLU . 33.8 m-80 -74.85 -178.47 3.73 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.714 -0.675 . . . . 1.0 111.371 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -60.56 -51.92 67.36 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.665 -0.698 . . . . 1.0 111.83 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -79.61 -10.24 59.76 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.228 -0.442 . . . . 1.0 111.351 -177.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.577 ' CD ' HD22 ' A' ' 18' ' ' ASN . 96.2 mt-10 -100.46 -24.78 14.4 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.275 -0.42 . . . . 1.0 111.878 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.24 -50.68 6.43 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.201 0.524 . . . . 1.0 110.771 -179.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -62.0 -44.67 96.24 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.552 -0.749 . . . . 1.0 111.605 -178.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -67.12 -46.5 73.97 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.185 -0.461 . . . . 1.0 112.02 -179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.8 OUTLIER -68.88 -39.49 79.78 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 120.653 -0.419 . . . . 1.0 111.871 -179.222 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 68.3 mt -63.13 -44.05 99.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.573 -0.451 . . . . 1.0 111.403 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -71.27 -30.28 66.1 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.797 0.295 . . . . 1.0 111.797 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.81 -43.86 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.438 -0.346 . . . . 1.0 111.407 -178.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.8 mt -62.77 -42.11 99.54 Favored 'General case' 0 CA--C 1.511 -0.557 0 CA-C-O 122.198 0.999 . . . . 1.0 109.404 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 136.11 -5.84 3.97 Favored Glycine 0 N--CA 1.445 -0.735 0 N-CA-C 107.761 -2.136 . . . . 1.0 107.761 -177.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -58.56 153.4 28.58 Favored Glycine 0 CA--C 1.527 0.818 0 N-CA-C 110.546 -1.022 . . . . 1.0 110.546 179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -130.99 152.05 50.73 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.809 0.338 . . . . 1.0 110.643 -179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.7 mt -102.18 113.79 27.36 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.189 -0.46 . . . . 1.0 111.103 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 17.4 p -88.02 163.77 16.11 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.281 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -109.68 -17.39 9.83 Favored Glycine 0 N--CA 1.468 0.769 0 N-CA-C 111.323 -0.711 . . . . 1.0 111.323 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 22.7 t -84.2 -137.94 0.06 Allowed 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.13 -0.322 . . . . 1.0 110.13 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.74 -69.91 0.41 Allowed 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.664 0.269 . . . . 1.0 111.168 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.546 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 16.2 t-20 -63.62 -27.98 69.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 111.687 -179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 54.0 mtpt -59.17 -35.0 72.78 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.309 -0.556 . . . . 1.0 109.664 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.64 158.19 30.61 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.037 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.554 ' C ' HD12 ' A' ' 42' ' ' LEU . 74.7 m -95.27 -71.97 0.65 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.677 HD23 HG11 ' A' ' 68' ' ' VAL . 10.9 mp -115.5 121.26 42.16 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 109.248 -0.649 . . . . 1.0 109.248 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 7.1 t -81.5 140.21 34.7 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.539 -0.755 . . . . 1.0 110.161 -179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.2 mm -95.23 112.72 28.15 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.212 0 CA-C-O 121.303 0.573 . . . . 1.0 110.015 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 29.6 t -157.96 152.21 24.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.114 -0.948 . . . . 1.0 109.888 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.8 p -95.25 163.78 13.13 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.872 -0.418 . . . . 1.0 109.872 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.26 -37.85 81.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.473 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -57.07 -39.54 75.14 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.233 -0.587 . . . . 1.0 110.001 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -66.2 -39.87 89.96 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.378 -0.601 . . . . 1.0 109.378 178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 85.0 t -64.99 -43.9 96.09 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.402 0 CA-C-N 115.653 -0.703 . . . . 1.0 111.505 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -51.72 -37.1 49.5 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 120.872 0.368 . . . . 1.0 111.711 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.9 mtpt -63.39 -38.87 92.82 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.934 -0.575 . . . . 1.0 111.144 -177.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.4 mmt 58.33 57.87 3.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.924 -0.58 . . . . 1.0 109.81 -178.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.8 m -76.78 176.03 8.87 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.337 -0.847 . . . . 1.0 110.877 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -61.62 -40.57 95.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.972 -0.558 . . . . 1.0 109.962 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.511 ' HD3' ' H ' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -62.46 -38.99 91.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.217 179.434 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.41 -39.98 92.72 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.28 -0.637 . . . . 1.0 109.28 179.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -60.86 -35.52 76.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.955 -0.566 . . . . 1.0 110.08 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -64.36 -44.6 90.92 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.125 0.488 . . . . 1.0 109.75 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 95.7 t -63.9 -44.71 98.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.421 -0.809 . . . . 1.0 109.497 179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -61.88 -46.06 91.04 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.726 -0.67 . . . . 1.0 110.423 179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.98 -11.35 60.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.854 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.546 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -90.01 -6.63 55.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.032 -0.531 . . . . 1.0 109.733 179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' OD1' ' N ' ' A' ' 97' ' ' ALA . 1.9 t-20 60.63 54.7 3.59 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.667 -0.697 . . . . 1.0 110.541 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.582 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 48.4 t -124.17 125.88 71.36 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.018 -0.537 . . . . 1.0 109.804 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' NH1' HD13 ' A' ' 87' ' ' LEU . 43.7 ttm180 -69.33 147.62 50.85 Favored 'General case' 0 C--N 1.323 -0.573 0 C-N-CA 120.017 -0.673 . . . . 1.0 109.635 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.485 ' H ' ' HB2' ' A' ' 93' ' ' SER . 54.2 t -112.72 131.38 64.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.387 -0.824 . . . . 1.0 109.619 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.677 HG11 HD23 ' A' ' 42' ' ' LEU . 31.5 m -130.97 160.79 41.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.024 -0.534 . . . . 1.0 109.878 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.6 p -77.74 151.91 33.88 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.853 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.634 ' CD ' ' H ' ' A' ' 70' ' ' GLU . 3.3 pm0 -63.91 -31.12 72.19 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.848 -0.614 . . . . 1.0 111.742 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.15 -10.13 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.118 -0.633 . . . . 1.0 109.295 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' N ' ' C ' ' A' ' 70' ' ' GLU . 32.9 t80 -59.68 -42.62 93.31 Favored 'General case' 0 CA--C 1.518 -0.281 0 N-CA-C 108.824 -0.806 . . . . 1.0 108.824 177.608 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 92.3 mt -59.81 -41.87 92.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.321 -0.854 . . . . 1.0 109.133 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.28 -38.17 87.16 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.975 -0.557 . . . . 1.0 110.086 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -60.82 -48.7 80.63 Favored 'General case' 0 C--O 1.225 -0.234 0 CA-C-N 115.863 -0.608 . . . . 1.0 111.647 -178.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.2 m -69.35 -37.57 75.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 C-N-CA 120.078 -0.649 . . . . 1.0 109.569 179.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 45.7 t -60.66 -43.74 97.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.301 -0.863 . . . . 1.0 111.207 -179.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -90.24 -64.32 1.15 Allowed 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.061 0.458 . . . . 1.0 110.547 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.1 t -81.73 166.82 19.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.747 -0.66 . . . . 1.0 110.424 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -140.05 42.81 1.94 Allowed 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 116.442 -0.345 . . . . 1.0 111.004 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 55.2 mtmt -71.84 -167.55 0.29 Allowed 'General case' 0 CA--C 1.515 -0.403 0 CA-C-O 121.513 0.673 . . . . 1.0 111.023 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.9 m -71.78 143.68 49.45 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 114.787 -1.097 . . . . 1.0 110.632 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.3 mt -63.29 -43.67 97.22 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.61 -0.723 . . . . 1.0 109.946 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.7 mm-40 -65.26 -39.45 92.66 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.89 -1.05 . . . . 1.0 111.087 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -65.74 -40.45 92.16 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.358 -0.383 . . . . 1.0 111.233 -179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 67.0 mt -62.91 -42.79 99.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.4 -0.364 . . . . 1.0 111.823 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.716 ' C ' HD12 ' A' ' 87' ' ' LEU . 3.7 pp -81.96 -8.05 59.65 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.528 -0.469 . . . . 1.0 110.661 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.511 ' N ' HD12 ' A' ' 87' ' ' LEU . 29.6 t -70.03 -34.51 73.36 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.805 0.336 . . . . 1.0 110.8 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.88 -41.01 4.61 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 116.304 -0.407 . . . . 1.0 111.992 -178.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -65.86 -36.3 83.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.802 0.334 . . . . 1.0 111.727 -178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 93' ' ' SER . 30.0 t -53.35 125.7 18.68 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-O 122.438 1.113 . . . . 1.0 111.321 -177.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 59.8 mt -96.13 -5.19 41.28 Favored 'General case' 0 C--N 1.306 -1.285 0 CA-C-N 112.979 -1.919 . . . . 1.0 109.573 179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.485 ' HB2' ' H ' ' A' ' 67' ' ' VAL . 47.8 m -134.26 150.93 51.04 Favored 'General case' 0 N--CA 1.47 0.569 0 CA-C-N 116.357 -0.383 . . . . 1.0 110.93 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.3 p -102.75 0.42 32.87 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 116.363 -0.38 . . . . 1.0 111.843 -179.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.582 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 9.2 p90 -103.25 165.6 10.93 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 120.549 0.214 . . . . 1.0 110.694 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.65 67.93 0.08 OUTLIER Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.833 -0.907 . . . . 1.0 110.833 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.428 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 56.98 62.46 2.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.027 0.441 . . . . 1.0 110.427 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -65.2 -32.12 73.64 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.823 0.82 . . . . 1.0 110.5 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 5.4 m -121.03 129.11 76.04 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.166 0 CA-C-N 114.017 -1.447 . . . . 1.0 109.865 179.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -107.77 -22.22 12.56 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.801 -178.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -145.92 64.61 1.23 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 121.026 0.441 . . . . 1.0 110.884 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 22.7 t60 -139.52 138.74 36.58 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.8 -0.636 . . . . 1.0 109.738 179.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.9 m80 -100.01 105.81 17.53 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-O 120.722 0.296 . . . . 1.0 110.507 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -112.24 -5.86 14.14 Favored 'General case' 0 N--CA 1.466 0.343 0 N-CA-C 109.75 -0.463 . . . . 1.0 109.75 179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -71.72 166.13 22.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.686 -0.688 . . . . 1.0 110.586 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 118.158 -0.925 . . . . 1.0 110.545 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.724 -0.472 . . . . 1.0 109.724 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' N ' ' CD ' ' A' ' 3' ' ' PRO . 64.4 mttm 50.25 49.97 8.23 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.424 179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.459 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 57.3 Cg_endo -68.63 -38.05 11.42 Favored 'Trans proline' 0 C--N 1.305 -1.727 0 C-N-CA 121.849 1.699 . . . . 1.0 112.848 -178.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.864 HD12 HD12 ' A' ' 29' ' ' LEU . 83.9 mt -109.96 -9.61 14.76 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 112.131 0.419 . . . . 1.0 112.131 -178.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -63.83 -19.78 65.3 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.701 0.63 . . . . 1.0 112.701 -178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -100.37 12.74 36.49 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-O 120.721 0.296 . . . . 1.0 111.395 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 9.0 ptm -151.99 156.37 39.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.014 0.435 . . . . 1.0 111.704 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -99.36 150.1 22.48 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 107.929 -1.137 . . . . 1.0 107.929 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.57 HD11 HD13 ' A' ' 4' ' ' LEU . 90.3 mt -118.6 141.3 38.82 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.124 0.488 . . . . 1.0 111.71 -177.54 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.2 tt -116.29 133.33 56.14 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-N 115.581 -0.736 . . . . 1.0 112.153 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 79.4 p -104.72 118.24 36.08 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.963 -0.755 . . . . 1.0 108.963 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 51.7 tp -62.91 -42.08 99.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.307 -0.406 . . . . 1.0 111.034 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 175.68 -91.67 0.09 OUTLIER Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -66.99 133.32 49.72 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.086 0.469 . . . . 1.0 111.255 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.488 HD11 ' CD ' ' A' ' 70' ' ' GLU . 40.5 tp -119.75 133.76 55.49 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.58 -0.737 . . . . 1.0 110.671 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.1 t -61.69 -79.84 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.65 0.611 . . . . 1.0 112.65 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' NE2' ' CD ' ' A' ' 70' ' ' GLU . 8.6 pt20 -58.54 179.62 0.08 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.085 0.469 . . . . 1.0 112.003 -178.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -70.47 151.59 44.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.443 -0.799 . . . . 1.0 111.687 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -62.11 -48.08 81.74 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.955 -1.02 . . . . 1.0 110.87 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -62.51 -40.85 98.08 Favored 'General case' 0 C--N 1.319 -0.733 0 C-N-CA 120.04 -0.664 . . . . 1.0 110.766 -177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -69.12 -38.58 78.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 1.0 111.106 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.11 -56.79 10.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 112.329 0.492 . . . . 1.0 112.329 -178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -63.18 -41.46 99.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.812 -0.631 . . . . 1.0 111.385 -179.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.8 -47.73 79.72 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.644 -0.422 . . . . 1.0 111.387 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.461 ' C ' ' SD ' ' A' ' 25' ' ' MET . 2.2 ppp? -68.73 -40.28 79.95 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.312 -0.555 . . . . 1.0 112.038 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.5 mt -62.2 -44.24 98.85 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 N-CA-C 111.928 0.344 . . . . 1.0 111.928 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.77 -28.51 65.82 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.826 -0.349 . . . . 1.0 111.295 179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -62.52 -44.85 95.36 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.937 0.399 . . . . 1.0 111.056 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.864 HD12 HD12 ' A' ' 4' ' ' LEU . 51.7 mt -64.02 -38.42 91.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 122.209 1.004 . . . . 1.0 108.893 178.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 124.15 -1.61 9.04 Favored Glycine 0 N--CA 1.45 -0.428 0 N-CA-C 107.211 -2.356 . . . . 1.0 107.211 -177.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.2 152.59 43.72 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 109.573 -1.411 . . . . 1.0 109.573 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt -134.37 154.28 51.44 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 121.593 0.711 . . . . 1.0 111.674 -179.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.509 ' O ' ' OG1' ' A' ' 34' ' ' THR . 15.9 mt -120.17 113.33 20.29 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 114.938 -1.028 . . . . 1.0 110.518 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.509 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 7.5 m -174.75 154.12 1.89 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.878 0.37 . . . . 1.0 110.878 179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.06 146.34 15.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-N 116.021 -0.536 . . . . 1.0 112.451 178.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 74.1 m -82.3 -42.82 18.3 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-N 115.424 -0.388 . . . . 1.0 111.526 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' ' 63' ' ' ALA . . . -169.78 152.49 4.55 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.295 0.569 . . . . 1.0 111.136 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.484 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 9.6 t-20 56.69 -2.21 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.036 -0.984 . . . . 1.0 112.486 179.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.492 ' H ' ' C ' ' A' ' 37' ' ' ALA . 97.9 mttt -88.95 -12.08 42.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.311 0.577 . . . . 1.0 109.788 177.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -103.15 177.35 4.86 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.03 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.52 ' C ' HD12 ' A' ' 42' ' ' LEU . 7.3 t -109.34 -54.83 2.49 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 109.632 -0.507 . . . . 1.0 109.632 179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.52 HD12 ' C ' ' A' ' 41' ' ' SER . 9.0 mp -116.36 120.43 38.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.692 -0.685 . . . . 1.0 109.644 178.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.6 t -86.43 138.92 31.39 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 108.907 -0.775 . . . . 1.0 108.907 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.3 mm -90.49 111.42 23.44 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.101 0 CA-C-O 121.484 0.659 . . . . 1.0 110.524 -178.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 19.9 t -165.94 131.18 2.39 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.141 -0.936 . . . . 1.0 109.639 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.5 p -82.97 167.99 17.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.824 -0.626 . . . . 1.0 110.659 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.0 tppp? -58.89 -38.89 79.89 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.455 -0.498 . . . . 1.0 109.661 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -57.72 -43.1 85.03 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.639 -0.504 . . . . 1.0 109.639 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' CG ' ' A' ' 52' ' ' LYS . 78.9 mm-40 -65.53 -37.95 88.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.49 178.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.6 t -67.0 -43.17 89.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.421 0.629 . . . . 1.0 110.282 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 76.8 mm-40 -55.66 -17.61 6.14 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.891 -0.595 . . . . 1.0 110.54 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.434 ' CG ' ' O ' ' A' ' 49' ' ' GLU . 73.4 mmtt -62.88 -42.53 99.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.727 -0.67 . . . . 1.0 109.495 179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 25.5 mmt 53.18 45.01 29.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.295 -0.866 . . . . 1.0 110.453 -179.153 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.8 t -86.38 178.4 7.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.525 -0.761 . . . . 1.0 110.29 179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -62.21 -37.6 85.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.023 -0.535 . . . . 1.0 110.457 179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mmtp -60.48 -41.15 93.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.077 -0.511 . . . . 1.0 110.029 -179.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.3 tmm? -63.59 -39.3 94.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.541 179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -58.59 -32.02 68.58 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.909 -0.587 . . . . 1.0 110.121 -179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -66.1 -43.34 87.54 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 120.312 -0.555 . . . . 1.0 109.82 -179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 90.1 t -61.45 -45.06 99.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 122.066 0.936 . . . . 1.0 108.476 179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -61.7 -46.88 87.78 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 113.897 -1.501 . . . . 1.0 111.934 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.35 59.96 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.246 0.546 . . . . 1.0 110.007 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.508 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -87.74 -6.59 58.11 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-N 115.372 -0.831 . . . . 1.0 109.828 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.495 ' OD1' ' NZ ' ' A' ' 100' ' ' LYS . 10.7 m120 56.55 53.88 8.06 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 115.341 -0.845 . . . . 1.0 111.318 179.782 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.57 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 65.6 t -124.64 125.46 70.07 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.167 0 N-CA-C 108.865 -0.791 . . . . 1.0 108.865 178.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.3 ttm-85 -63.09 147.94 49.32 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.166 -0.613 . . . . 1.0 109.529 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.5 t -115.95 130.59 70.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.804 -0.634 . . . . 1.0 110.032 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 21.9 m -134.13 160.28 41.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.517 -0.765 . . . . 1.0 109.25 179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.406 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.2 t -74.64 152.57 39.18 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.846 -0.798 . . . . 1.0 108.846 179.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.489 ' C ' ' N ' ' A' ' 72' ' ' PHE . 76.5 tt0 -64.77 -32.71 74.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.46 -178.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -46.92 -16.88 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.252 -0.647 . . . . 1.0 109.252 178.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.489 ' N ' ' C ' ' A' ' 70' ' ' GLU . 26.8 t80 -58.3 -39.9 80.56 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.175 -0.921 . . . . 1.0 109.549 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 95.5 mt -58.72 -42.29 88.34 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.948 -0.569 . . . . 1.0 109.765 -177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.6 mm-40 -69.56 -34.96 74.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.401 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.533 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.2 m-20 -62.61 -49.74 74.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.405 -0.816 . . . . 1.0 112.403 -178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.432 ' O ' ' HB2' ' A' ' 80' ' ' ALA . 5.9 m -66.12 -39.44 84.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 119.694 -0.802 . . . . 1.0 109.93 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 72.7 m -62.33 -40.95 98.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.509 -0.769 . . . . 1.0 111.517 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -97.83 -67.13 0.86 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.823 0.344 . . . . 1.0 111.884 -178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 t -60.84 -46.54 90.18 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.98 -178.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.432 ' HB2' ' O ' ' A' ' 76' ' ' VAL . . . 44.52 42.47 5.6 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.551 0.574 . . . . 1.0 112.551 178.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 47.5 mtmt -85.67 -160.78 0.55 Allowed 'General case' 0 CA--C 1.514 -0.412 0 CA-C-O 121.553 0.692 . . . . 1.0 110.354 179.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.6 m -62.48 142.66 57.81 Favored 'General case' 0 C--N 1.314 -0.941 0 CA-C-N 114.801 -1.09 . . . . 1.0 109.398 179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 83.0 mt -63.22 -44.42 95.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.886 -0.597 . . . . 1.0 110.976 -178.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.9 mm-40 -62.38 -41.95 99.03 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.131 -0.941 . . . . 1.0 112.113 -178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -65.51 -38.18 88.94 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.825 -0.35 . . . . 1.0 110.854 -179.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 88.5 mt -63.94 -42.11 97.42 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 112.037 0.384 . . . . 1.0 112.037 -179.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.45 ' C ' HD12 ' A' ' 87' ' ' LEU . 4.2 pp -82.81 -11.58 58.14 Favored 'General case' 0 C--O 1.226 -0.179 0 C-N-CA 119.859 -0.737 . . . . 1.0 110.996 -179.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 70.3 m -62.39 -40.63 97.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.819 0.342 . . . . 1.0 110.362 178.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -102.79 -41.02 6.32 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.383 0.512 . . . . 1.0 112.383 -178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.533 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 35.5 m-70 -65.45 -41.65 93.22 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.755 -178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 44.5 m -40.37 110.25 0.14 Allowed 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 122.167 0.984 . . . . 1.0 111.91 -178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.8 mt -91.31 -1.82 57.55 Favored 'General case' 0 C--N 1.31 -1.118 0 CA-C-N 113.65 -1.614 . . . . 1.0 109.101 178.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.6 p -139.77 163.62 32.13 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.927 -0.578 . . . . 1.0 111.149 -178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.3 m -121.44 36.72 4.53 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 115.905 -0.589 . . . . 1.0 111.299 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.57 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.3 p90 -139.54 166.28 25.0 Favored 'General case' 0 N--CA 1.469 0.494 0 N-CA-C 109.96 -0.385 . . . . 1.0 109.96 179.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.55 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 149.41 58.59 0.01 OUTLIER Glycine 0 N--CA 1.465 0.574 0 N-CA-C 111.131 -0.788 . . . . 1.0 111.131 -179.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.55 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 74.79 66.71 0.08 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.791 0.329 . . . . 1.0 111.734 179.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 99' ' ' VAL . 15.6 pt-20 -153.97 161.81 41.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.164 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 98' ' ' GLU . 27.4 m -30.1 133.8 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 CA-C-O 121.854 0.835 . . . . 1.0 111.638 -179.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.495 ' NZ ' ' OD1' ' A' ' 64' ' ' ASN . 97.0 mttt -111.88 163.53 14.1 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 114.383 -1.281 . . . . 1.0 110.154 -177.85 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.473 ' O ' ' ND1' ' A' ' 101' ' ' HIS . 2.7 p80 -70.14 45.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.038 -179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.427 ' H ' ' C ' ' A' ' 100' ' ' LYS . 35.6 t-80 -73.22 110.55 7.6 Favored 'General case' 0 C--N 1.333 -0.12 0 C-N-CA 120.39 -0.524 . . . . 1.0 110.426 -179.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -165.35 8.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.402 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -79.55 139.75 37.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.865 -179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 53.7 p-80 -81.07 -19.05 44.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.483 -0.326 . . . . 1.0 111.206 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 40.6 t-80 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 117.736 -1.126 . . . . 1.0 110.635 -179.801 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.7 mtm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.08 -0.711 . . . . 1.0 109.08 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 85.0 mttt 55.78 63.07 6.54 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 115.898 -0.592 . . . . 1.0 111.052 179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -83.75 -52.74 0.04 OUTLIER 'Trans proline' 0 C--N 1.307 -1.624 0 C-N-CA 122.57 2.18 . . . . 1.0 112.606 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.005 HD12 HD12 ' A' ' 29' ' ' LEU . 89.9 mt -98.99 2.33 46.25 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 116.321 -0.399 . . . . 1.0 111.983 -178.614 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 t -68.36 -31.37 70.7 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.39 0.515 . . . . 1.0 112.39 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -95.99 10.97 35.66 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.154 0.427 . . . . 1.0 112.154 -177.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 20.1 ptm -150.43 168.94 22.67 Favored 'General case' 0 N--CA 1.463 0.22 0 C-N-CA 120.289 -0.564 . . . . 1.0 112.117 -178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -99.37 166.61 11.11 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.611 -0.722 . . . . 1.0 110.505 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.713 HD11 HD22 ' A' ' 4' ' ' LEU . 35.9 mm -137.34 149.55 25.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 CA-C-N 115.596 -0.729 . . . . 1.0 112.255 -178.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.6 tt -136.61 142.84 43.32 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.231 -0.895 . . . . 1.0 109.975 178.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.7 p -113.71 129.46 56.57 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 120.774 0.321 . . . . 1.0 110.725 179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.3 tp -122.79 130.46 52.93 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.397 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 64.01 -142.07 45.81 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.593 -0.603 . . . . 1.0 111.593 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.9 tttm -120.9 155.23 34.64 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-O 120.906 0.384 . . . . 1.0 110.134 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.821 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -136.09 -176.14 4.22 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.244 179.759 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 15.7 t -59.34 -44.18 92.68 Favored 'General case' 0 N--CA 1.465 0.319 0 C-N-CA 120.402 -0.519 . . . . 1.0 110.455 -178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.456 ' CG ' ' OE2' ' A' ' 70' ' ' GLU . 24.7 mt-30 -64.58 160.62 19.22 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.818 -0.808 . . . . 1.0 108.818 178.464 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.592 HD22 ' CD ' ' A' ' 21' ' ' GLU . 65.3 m-80 -70.7 -84.4 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.527 -0.469 . . . . 1.0 110.591 -179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.1 tmmm? -171.31 -58.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.176 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.1 -41.31 97.32 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.058 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.592 ' CD ' HD22 ' A' ' 18' ' ' ASN . 21.4 pt-20 -67.35 -41.61 84.9 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-N 115.547 -0.751 . . . . 1.0 111.136 -179.473 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.58 -49.06 77.64 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.591 -0.731 . . . . 1.0 109.61 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -62.79 -42.89 99.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.351 -0.84 . . . . 1.0 110.705 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.33 -41.07 98.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.753 -179.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 25' ' ' MET . 0.0 OUTLIER -67.07 -40.92 87.13 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 1.0 110.196 179.558 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 78.1 mt -62.99 -43.8 99.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.406 -0.361 . . . . 1.0 111.271 -179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.06 -31.61 72.24 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.867 0.365 . . . . 1.0 110.366 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -59.19 -43.17 92.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.417 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.005 HD12 HD12 ' A' ' 4' ' ' LEU . 34.2 mt -63.08 -40.06 96.54 Favored 'General case' 0 CA--C 1.514 -0.416 0 CA-C-O 121.808 0.813 . . . . 1.0 109.61 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 129.78 -2.62 6.03 Favored Glycine 0 C--N 1.321 -0.295 0 N-CA-C 107.535 -2.226 . . . . 1.0 107.535 -177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -64.78 147.99 51.18 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.559 -1.017 . . . . 1.0 110.559 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -122.59 153.5 39.2 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.985 0.421 . . . . 1.0 110.489 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 80.3 mt -97.24 125.08 41.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.654 -0.703 . . . . 1.0 109.768 -179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 42.1 m -125.31 132.06 52.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.511 -179.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.28 -138.66 0.26 Allowed Glycine 0 CA--C 1.529 0.93 0 N-CA-C 110.43 -1.068 . . . . 1.0 110.43 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 91.2 p 45.91 -126.72 1.34 Allowed 'General case' 0 C--N 1.329 -0.316 0 O-C-N 122.607 -0.349 . . . . 1.0 110.49 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -160.67 -73.48 0.06 Allowed 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 120.582 -0.447 . . . . 1.0 111.734 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 21.1 t-20 -59.69 -28.01 66.92 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 111.89 0.329 . . . . 1.0 111.89 -178.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -58.36 -35.87 72.6 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.077 -0.712 . . . . 1.0 109.077 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.35 160.3 31.55 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.807 -0.633 . . . . 1.0 109.412 178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 94.8 p -103.62 -49.64 3.63 Favored 'General case' 0 CA--C 1.516 -0.339 0 C-N-CA 120.254 -0.578 . . . . 1.0 110.61 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.57 HD13 ' N ' ' A' ' 43' ' ' CYS . 0.2 OUTLIER -129.37 120.94 26.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.428 -178.682 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.57 ' N ' HD13 ' A' ' 42' ' ' LEU . 95.9 m -90.1 144.6 25.74 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.403 -0.817 . . . . 1.0 108.887 177.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -97.95 114.45 35.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-O 121.14 0.495 . . . . 1.0 110.12 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 70.2 m -157.25 149.19 22.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.257 -0.883 . . . . 1.0 110.037 179.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.3 p -93.06 166.09 12.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.805 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.46 -37.5 83.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 N-CA-C 108.73 -0.841 . . . . 1.0 108.73 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 72.2 mmtt -60.62 -11.14 6.37 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.628 -0.715 . . . . 1.0 110.273 179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -106.15 -36.2 6.98 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.097 0.475 . . . . 1.0 109.905 179.526 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.3 t -66.56 -42.13 89.49 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.519 0 CA-C-N 116.085 -0.507 . . . . 1.0 110.183 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -59.74 -26.3 65.55 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.237 0.541 . . . . 1.0 110.394 -179.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -63.26 -42.9 99.21 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.475 -179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.6 mmt 54.72 46.88 23.71 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.017 -0.538 . . . . 1.0 110.013 -178.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 66.6 m -73.41 178.88 4.3 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.355 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.63 -40.93 96.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.508 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.436 ' HD2' ' H ' ' A' ' 56' ' ' LYS . 0.3 OUTLIER -62.44 -40.21 95.84 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.446 -0.576 . . . . 1.0 109.446 179.343 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -60.33 -41.52 93.72 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.822 -0.626 . . . . 1.0 109.6 179.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -58.93 -36.28 74.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.362 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 26.7 mm-40 -60.12 -45.12 94.05 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.624 -0.51 . . . . 1.0 109.624 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 65.6 t -63.98 -45.98 95.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.667 -0.697 . . . . 1.0 109.4 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.8 ttmt -62.82 -44.81 95.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.873 -0.603 . . . . 1.0 111.327 -179.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -75.62 -13.51 60.34 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.476 -0.329 . . . . 1.0 110.531 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.462 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -91.75 -1.87 57.21 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.425 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.41 ' HB3' ' H ' ' A' ' 97' ' ' ALA . 5.9 m120 57.41 56.09 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 1.0 111.197 179.587 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.555 HG11 ' SG ' ' A' ' 43' ' ' CYS . 61.7 t -124.52 122.66 64.4 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.294 0 N-CA-C 109.076 -0.713 . . . . 1.0 109.076 178.223 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -68.89 152.33 45.42 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.216 -0.594 . . . . 1.0 109.692 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.1 t -119.48 134.94 61.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.936 -178.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.429 ' N ' HD11 ' A' ' 42' ' ' LEU . 1.8 p -133.38 158.97 43.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 109.473 -0.566 . . . . 1.0 109.473 179.034 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.4 p -74.63 156.09 37.1 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-O 121.487 0.661 . . . . 1.0 111.096 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.456 ' OE2' ' CG ' ' A' ' 17' ' ' GLN . 85.7 tt0 -61.33 -43.79 98.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.123 -0.944 . . . . 1.0 111.104 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -48.31 -17.4 0.14 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.089 179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' N ' ' C ' ' A' ' 70' ' ' GLU . 46.7 t80 -59.23 -42.92 92.19 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.835 -0.621 . . . . 1.0 110.342 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.5 mt -58.76 -42.08 88.08 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.254 -0.647 . . . . 1.0 109.254 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 95.5 mm-40 -67.34 -38.78 85.41 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.836 -0.62 . . . . 1.0 110.32 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.429 ' O ' ' N ' ' A' ' 79' ' ' SER . 99.0 m-20 -62.58 -49.57 74.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.005 -0.543 . . . . 1.0 112.071 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.42 HG11 ' CE1' ' A' ' 72' ' ' PHE . 22.3 m -66.74 -39.88 84.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 C-N-CA 119.362 -0.935 . . . . 1.0 109.734 179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.7 m -61.23 -43.7 98.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.497 -0.774 . . . . 1.0 111.14 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.94 -69.2 0.76 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.609 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 75' ' ' ASP . 27.3 m -71.74 141.34 49.78 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.363 -0.606 . . . . 1.0 109.363 179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -136.45 68.09 1.44 Allowed 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.885 0.374 . . . . 1.0 110.951 -179.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -112.73 -148.27 0.43 Allowed 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.88 -0.6 . . . . 1.0 109.884 179.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 30.8 t -65.02 129.59 40.26 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-O 121.433 0.635 . . . . 1.0 111.579 -178.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 18.6 mt -65.05 -42.45 94.25 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.175 -0.92 . . . . 1.0 109.307 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.401 ' N ' ' CD ' ' A' ' 84' ' ' GLN . 5.8 mp0 -63.26 -41.22 99.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 113.671 -1.604 . . . . 1.0 111.014 -178.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 79.7 tt0 -66.49 -38.43 87.26 Favored 'General case' 0 C--N 1.323 -0.581 0 C-N-CA 120.696 -0.402 . . . . 1.0 110.485 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.476 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 78.9 mt -62.98 -44.1 96.98 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.775 -0.37 . . . . 1.0 111.257 -179.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.2 pp -84.81 -9.1 58.49 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 120.7 -0.4 . . . . 1.0 110.425 -179.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.1 t -63.47 -42.95 98.58 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.079 0.466 . . . . 1.0 110.353 178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -104.4 -43.66 5.13 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.896 -0.593 . . . . 1.0 112.101 -178.452 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.476 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 16.1 m-70 -58.87 -41.35 86.86 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.929 -0.309 . . . . 1.0 111.313 -178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 68.1 m -56.4 100.87 0.05 OUTLIER 'General case' 0 CA--C 1.504 -0.82 0 CA-C-O 121.925 0.869 . . . . 1.0 110.424 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 19.8 mt -63.92 -35.18 79.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 114.069 -1.423 . . . . 1.0 108.789 178.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.0 p -90.66 168.11 12.02 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.344 0.593 . . . . 1.0 112.097 -179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.4 t -129.22 32.85 4.64 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.082 -0.963 . . . . 1.0 109.353 178.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.554 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 8.3 p90 -139.03 165.67 26.52 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.709 -0.678 . . . . 1.0 110.562 -179.497 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.539 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 146.27 67.98 0.01 OUTLIER Glycine 0 CA--C 1.52 0.358 0 N-CA-C 109.959 -1.256 . . . . 1.0 109.959 -178.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.539 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 102.38 45.17 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.839 0.856 . . . . 1.0 109.269 -179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.405 ' HG3' ' H ' ' A' ' 99' ' ' VAL . 5.5 tp10 -88.61 -167.6 1.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.169 -0.923 . . . . 1.0 109.892 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.405 ' H ' ' HG3' ' A' ' 98' ' ' GLU . 18.5 m -66.65 146.7 13.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.018 -0.537 . . . . 1.0 110.153 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 101' ' ' HIS . 7.0 ptpt -118.48 126.41 51.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.048 -0.523 . . . . 1.0 111.101 -178.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.42 ' C ' ' O ' ' A' ' 100' ' ' LYS . 47.1 m80 28.85 45.93 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.277 -0.874 . . . . 1.0 111.736 -179.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.598 ' CD2' ' ND1' ' A' ' 103' ' ' HIS . 75.2 t60 -63.09 -48.42 78.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.627 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.598 ' ND1' ' CD2' ' A' ' 102' ' ' HIS . 20.2 m80 -153.68 159.29 41.99 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 121.142 0.496 . . . . 1.0 111.324 -179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.544 ' CD2' ' CD2' ' A' ' 105' ' ' HIS . 0.5 OUTLIER 57.46 -107.7 0.39 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.253 -0.885 . . . . 1.0 112.112 178.655 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.544 ' CD2' ' CD2' ' A' ' 104' ' ' HIS . 0.5 OUTLIER -150.07 167.32 27.13 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.963 0.411 . . . . 1.0 110.899 -178.751 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . 0.428 ' OXT' ' O ' ' A' ' 105' ' ' HIS . 8.5 p80 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.934 -1.032 . . . . 1.0 110.333 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.434 ' O ' ' C ' ' A' ' 2' ' ' LYS . 67.7 mtt . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 108.578 -0.897 . . . . 1.0 108.578 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 1' ' ' MET . 0.0 OUTLIER 27.12 62.97 0.59 Allowed Pre-proline 0 N--CA 1.475 0.795 0 O-C-N 123.858 0.724 . . . . 1.0 111.773 -179.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -86.65 -57.59 0.02 OUTLIER 'Trans proline' 0 C--N 1.311 -1.411 0 C-N-CA 122.729 2.286 . . . . 1.0 114.012 -179.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -93.88 -3.87 51.01 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 112.255 0.465 . . . . 1.0 112.255 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -67.56 -17.2 64.55 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 113.323 0.86 . . . . 1.0 113.323 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.402 ' H ' ' ND2' ' A' ' 6' ' ' ASN . 3.2 p30 -107.8 23.42 14.5 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.758 0.281 . . . . 1.0 111.758 -178.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.7 ptm -159.69 159.98 33.59 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 119.774 -0.77 . . . . 1.0 112.429 -178.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.6 mptt -97.72 155.11 17.16 Favored 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.673 -0.694 . . . . 1.0 109.485 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.9 mm -132.69 135.09 57.98 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.531 0 N-CA-C 112.573 0.582 . . . . 1.0 112.573 -178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.2 tt -114.1 130.16 56.59 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 115.208 -0.905 . . . . 1.0 110.747 179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.1 p -95.94 132.13 41.57 Favored 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 108.234 -1.024 . . . . 1.0 108.234 178.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.43 HD11 ' HB3' ' A' ' 56' ' ' LYS . 19.3 tp -107.47 122.46 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.58 -178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.408 ' C ' ' O ' ' A' ' 12' ' ' LEU . . . 33.17 -127.66 0.35 Allowed Glycine 0 CA--C 1.528 0.891 0 N-CA-C 111.765 -0.534 . . . . 1.0 111.765 179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -82.49 150.12 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.998 0.428 . . . . 1.0 110.906 179.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HG ' ' H ' ' A' ' 17' ' ' GLN . 0.8 OUTLIER -139.9 169.82 17.0 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.419 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 17' ' ' GLN . 73.2 m -60.12 -42.53 94.97 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 111.983 0.364 . . . . 1.0 111.983 -178.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.44 ' H ' ' HG ' ' A' ' 15' ' ' LEU . 35.6 mm-40 -58.38 -155.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.393 0.616 . . . . 1.0 109.733 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -110.27 -78.24 0.59 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.265 -0.879 . . . . 1.0 109.749 179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.8 ptmt -179.07 -46.17 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.044 -0.525 . . . . 1.0 110.342 179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -89.05 -21.67 23.33 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.101 -0.704 . . . . 1.0 109.101 179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.33 -10.32 52.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.002 -0.999 . . . . 1.0 110.833 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -93.44 -61.44 1.56 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.851 0.358 . . . . 1.0 110.747 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.76 -40.38 94.93 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.711 -0.677 . . . . 1.0 111.385 -179.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.39 96.72 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.575 -0.45 . . . . 1.0 111.235 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.12 -39.86 82.65 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.489 -0.323 . . . . 1.0 111.463 -179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 70.8 mt -62.72 -43.39 98.63 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.215 0 CA-C-O 120.738 0.304 . . . . 1.0 111.105 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.71 -31.58 71.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.018 0.437 . . . . 1.0 110.383 179.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -60.21 -43.93 95.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.955 -0.566 . . . . 1.0 111.138 -179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 38.7 mt -63.53 -41.26 98.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 122.544 1.164 . . . . 1.0 109.15 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.62 -2.74 3.8 Favored Glycine 0 C--N 1.317 -0.493 0 N-CA-C 108.093 -2.003 . . . . 1.0 108.093 -177.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.5 157.14 29.72 Favored Glycine 0 N--CA 1.448 -0.544 0 N-CA-C 111.391 -0.684 . . . . 1.0 111.391 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mttt -133.51 157.91 44.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.045 0.926 . . . . 1.0 111.676 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.8 mt -114.57 129.99 56.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 113.999 -1.455 . . . . 1.0 110.165 179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 15.1 t -130.65 158.32 40.37 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.819 0.343 . . . . 1.0 110.347 179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.18 -171.79 48.16 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.45 -0.66 . . . . 1.0 111.45 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 61.02 -163.98 0.25 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.865 0.364 . . . . 1.0 110.756 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.534 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -135.78 161.51 35.37 Favored 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.735 -0.666 . . . . 1.0 109.652 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 8.1 t-20 71.51 -25.2 0.17 Allowed 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.654 -178.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.534 ' H ' ' C ' ' A' ' 37' ' ' ALA . 87.2 tttt -66.06 -34.18 77.48 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 178.043 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.87 173.33 12.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.744 -1.116 . . . . 1.0 110.536 179.645 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.9 p -103.32 -66.22 0.95 Allowed 'General case' 0 N--CA 1.464 0.254 0 C-N-CA 120.433 -0.507 . . . . 1.0 110.212 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.2 mt -116.29 123.2 47.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.648 -0.705 . . . . 1.0 110.967 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 12.2 t -85.04 143.77 28.69 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.429 -0.805 . . . . 1.0 109.649 179.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.4 mm -96.64 110.01 24.01 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 121.369 0.604 . . . . 1.0 111.116 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 15.7 m -159.04 150.0 20.03 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.041 -0.981 . . . . 1.0 109.67 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 7.4 p -93.95 164.75 12.97 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 110.022 -0.362 . . . . 1.0 110.022 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.51 -36.77 81.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.781 -0.367 . . . . 1.0 110.118 -179.738 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.0 tptp -58.86 -40.25 83.77 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.571 -0.529 . . . . 1.0 109.571 -179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -64.99 -39.5 93.56 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.035 -0.529 . . . . 1.0 110.561 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 88.6 t -63.39 -43.17 98.4 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.374 0 CA-C-N 115.608 -0.724 . . . . 1.0 111.125 -179.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.4 -31.84 46.84 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.113 0.483 . . . . 1.0 111.593 -177.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 77.1 mttt -64.31 -39.2 93.44 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 115.586 -0.733 . . . . 1.0 110.952 -178.363 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.5 mmt 56.75 46.45 19.97 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.543 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.405 ' OG ' ' N ' ' A' ' 55' ' ' LYS . 35.9 t -77.79 -171.05 2.09 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.756 -0.656 . . . . 1.0 110.854 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.405 ' N ' ' OG ' ' A' ' 54' ' ' SER . 98.7 mttt -61.51 -39.49 91.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.059 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.43 ' HB3' HD11 ' A' ' 12' ' ' LEU . 45.9 mmtm -60.67 -42.55 97.28 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.438 -0.801 . . . . 1.0 109.414 -179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 mmm -61.97 -40.23 94.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.941 0.401 . . . . 1.0 110.633 177.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -57.58 -38.17 74.4 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 120.433 -0.507 . . . . 1.0 111.252 -178.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -67.63 -44.05 78.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 119.902 -0.719 . . . . 1.0 110.835 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 86.7 t -63.34 -47.99 89.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.995 0.426 . . . . 1.0 110.953 -178.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 38.7 ttpt -65.25 -43.7 90.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.882 -0.599 . . . . 1.0 110.987 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.37 -13.95 61.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.628 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.519 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.02 -6.95 47.12 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.177 179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 58.23 51.6 8.33 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.39 0.614 . . . . 1.0 110.005 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.565 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.6 t -117.88 125.63 74.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 N-CA-C 108.789 -0.819 . . . . 1.0 108.789 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.1 ttm-85 -63.87 156.49 27.38 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.817 -0.808 . . . . 1.0 108.817 -179.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.446 ' H ' ' HB3' ' A' ' 93' ' ' SER . 70.2 t -117.28 129.25 74.09 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 CA-C-O 120.885 0.374 . . . . 1.0 110.548 -178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.3 t -129.05 133.64 65.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.517 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.62 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 4.8 t -71.76 163.29 28.07 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.05 0.452 . . . . 1.0 110.82 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.62 ' N ' ' SG ' ' A' ' 69' ' ' CYS . 57.0 mp0 -59.81 -40.56 88.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.385 -0.825 . . . . 1.0 111.866 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -42.65 -23.6 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.268 0.556 . . . . 1.0 110.427 -179.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.453 ' N ' ' O ' ' A' ' 70' ' ' GLU . 35.1 t80 -61.14 -41.96 97.68 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.453 -0.794 . . . . 1.0 110.968 179.33 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 69.7 mt -61.1 -40.31 93.24 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 109.197 -0.668 . . . . 1.0 109.197 -177.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 92.2 mm-40 -65.07 -39.23 92.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.676 -0.693 . . . . 1.0 110.519 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.562 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.9 m-20 -63.15 -47.81 81.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.704 -0.68 . . . . 1.0 112.547 -178.174 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.2 m -67.96 -38.9 80.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 119.92 -0.712 . . . . 1.0 109.768 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.1 p -63.34 -41.68 98.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.544 -0.753 . . . . 1.0 111.003 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -92.28 -67.95 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.166 0.507 . . . . 1.0 111.165 -179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 75' ' ' ASP . 10.3 p -70.01 147.05 50.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.643 -0.708 . . . . 1.0 111.461 -178.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.54 7.55 46.26 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.552 -0.749 . . . . 1.0 109.186 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -50.67 156.28 0.96 Allowed 'General case' 0 N--CA 1.448 -0.551 0 CA-C-N 115.129 -0.941 . . . . 1.0 112.252 -178.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 m -71.46 152.12 43.36 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-N 113.645 -1.616 . . . . 1.0 110.904 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 41.6 mt -61.84 -43.32 99.08 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 114.871 -1.059 . . . . 1.0 111.529 -177.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -60.26 -43.11 96.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.814 -0.63 . . . . 1.0 111.569 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.568 ' OE1' ' N ' ' A' ' 85' ' ' GLU . 42.6 mp0 -67.53 -40.48 85.05 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 121.017 -0.273 . . . . 1.0 111.402 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 89.7 mt -64.47 -44.16 91.89 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.052 0.39 . . . . 1.0 112.052 -179.159 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.469 ' O ' ' CB ' ' A' ' 91' ' ' SER . 3.8 pp -78.29 -22.56 48.05 Favored 'General case' 0 C--O 1.221 -0.44 0 C-N-CA 120.655 -0.418 . . . . 1.0 110.85 -179.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 39.3 m -60.89 -42.82 98.72 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.665 -0.414 . . . . 1.0 110.777 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -89.0 -45.41 9.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.317 -0.402 . . . . 1.0 111.167 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.562 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 74.3 m-70 -67.08 -38.91 86.56 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.681 0.623 . . . . 1.0 112.681 -178.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 3.9 p -34.81 108.89 0.07 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.752 0.787 . . . . 1.0 112.299 -178.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 69' ' ' CYS . 87.6 mt -91.71 -2.44 57.0 Favored 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 114.212 -1.358 . . . . 1.0 109.921 178.391 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.562 ' OG ' ' CD2' ' A' ' 95' ' ' TRP . 26.8 t -132.88 148.78 52.29 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.301 0.572 . . . . 1.0 112.147 -177.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.9 m -102.98 22.65 13.55 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.41 -0.814 . . . . 1.0 110.61 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.565 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 4.6 p90 -137.03 166.13 24.39 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.022 0.439 . . . . 1.0 110.937 -179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.643 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 155.98 54.69 0.01 OUTLIER Glycine 0 CA--C 1.527 0.782 0 N-CA-C 111.259 -0.736 . . . . 1.0 111.259 -179.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.643 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 84.06 42.52 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.681 0.276 . . . . 1.0 110.665 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -165.35 139.93 4.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.089 0.471 . . . . 1.0 111.179 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.464 ' O ' ' O ' ' A' ' 102' ' ' HIS . 15.9 m -139.59 52.47 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 115.766 -0.652 . . . . 1.0 110.07 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.515 ' HD2' ' H ' ' A' ' 101' ' ' HIS . 0.0 OUTLIER -62.12 -47.17 85.76 Favored 'General case' 0 CA--C 1.537 0.453 0 N-CA-C 111.967 0.358 . . . . 1.0 111.967 -179.071 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.515 ' H ' ' HD2' ' A' ' 100' ' ' LYS . 66.0 t-80 -66.77 -42.37 86.22 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 112.015 0.376 . . . . 1.0 112.015 -179.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.464 ' O ' ' O ' ' A' ' 99' ' ' VAL . 97.0 m-70 -104.31 145.29 30.45 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.063 0.458 . . . . 1.0 111.934 -178.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -141.79 -46.52 0.36 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.702 -0.681 . . . . 1.0 109.993 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -84.25 165.51 18.28 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.807 -0.633 . . . . 1.0 110.506 -179.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -112.92 147.98 35.94 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.136 -179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.934 -1.031 . . . . 1.0 110.774 179.398 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.41 -0.589 . . . . 1.0 109.41 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -140.73 64.03 21.49 Favored Pre-proline 0 N--CA 1.466 0.346 0 CA-C-N 116.421 -0.354 . . . . 1.0 110.712 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.427 ' HG2' ' H ' ' A' ' 4' ' ' LEU . 83.1 Cg_endo -79.01 -60.29 0.03 OUTLIER 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 122.276 1.984 . . . . 1.0 112.158 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 4' ' ' LEU . 10.8 mp -95.93 1.32 52.81 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 116.032 -0.531 . . . . 1.0 111.396 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -78.02 -6.92 56.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.756 0.312 . . . . 1.0 110.977 -179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 93.2 m-20 -116.5 19.43 14.67 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.201 -0.454 . . . . 1.0 112.061 -178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.1 ptm -162.08 174.64 12.71 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 119.583 -0.847 . . . . 1.0 112.167 -178.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -102.96 153.82 19.84 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.234 -0.894 . . . . 1.0 108.851 178.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mm -129.02 134.64 63.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 CA-C-O 121.07 0.462 . . . . 1.0 111.867 -178.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.2 tt -112.13 132.05 55.09 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-N 115.899 -0.591 . . . . 1.0 109.577 179.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.8 p -103.59 123.33 46.75 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.734 -179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.5 OUTLIER -62.01 -43.13 99.49 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 109.021 -0.733 . . . . 1.0 109.021 179.155 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 164.73 -123.69 1.19 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -75.67 134.58 40.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.888 0.375 . . . . 1.0 110.24 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.74 ' H ' HD23 ' A' ' 15' ' ' LEU . 0.9 OUTLIER -139.55 -169.83 2.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.402 179.565 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 40.3 t -61.79 -44.55 96.66 Favored 'General case' 0 N--CA 1.464 0.245 0 C-N-CA 120.782 -0.367 . . . . 1.0 111.815 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' NE2' HE21 ' A' ' 74' ' ' GLN . 37.0 mt-30 -74.57 139.11 43.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 1.0 110.142 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.502 HD22 ' CD ' ' A' ' 21' ' ' GLU . 40.2 m-80 -63.53 165.41 8.02 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.46 0.648 . . . . 1.0 110.512 -179.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -58.92 -46.69 87.35 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.664 -0.698 . . . . 1.0 111.053 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.0 t0 -71.61 -41.56 68.74 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.214 0.53 . . . . 1.0 110.941 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.502 ' CD ' HD22 ' A' ' 18' ' ' ASN . 97.3 mt-10 -71.15 -45.01 64.39 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.251 0.834 . . . . 1.0 113.251 -178.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.22 89.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.018 0.437 . . . . 1.0 110.505 -178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -62.77 -42.19 99.58 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.53 -0.759 . . . . 1.0 110.533 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.1 -42.02 98.8 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.893 -0.594 . . . . 1.0 110.326 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.428 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.2 tpp -65.73 -46.01 80.52 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.847 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 85.9 mt -62.99 -44.54 99.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.045 0.45 . . . . 1.0 110.876 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -70.84 -32.92 70.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.383 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -59.56 -47.32 85.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.537 -0.301 . . . . 1.0 111.325 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.4 ' N ' HD23 ' A' ' 29' ' ' LEU . 8.4 mt -63.66 -40.32 96.54 Favored 'General case' 0 CA--C 1.513 -0.444 0 CA-C-O 122.022 0.915 . . . . 1.0 108.602 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 135.41 -1.11 3.62 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 109.083 -1.607 . . . . 1.0 109.083 -177.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -61.08 146.98 47.57 Favored Glycine 0 C--N 1.335 0.508 0 C-N-CA 121.218 -0.515 . . . . 1.0 111.885 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -127.55 149.02 50.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.056 -0.572 . . . . 1.0 110.448 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.44 ' O ' ' OG1' ' A' ' 34' ' ' THR . 94.0 mt -103.84 121.54 43.27 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 108.979 -0.748 . . . . 1.0 108.979 178.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.449 ' CG2' ' N ' ' A' ' 35' ' ' GLY . 1.3 m 175.61 161.02 0.27 Allowed 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 109.749 -0.463 . . . . 1.0 109.749 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.449 ' N ' ' CG2' ' A' ' 34' ' ' THR . . . 109.44 133.23 6.66 Favored Glycine 0 N--CA 1.464 0.56 0 N-CA-C 111.435 -0.666 . . . . 1.0 111.435 179.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 68.6 m -61.12 -43.01 99.55 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.975 0.417 . . . . 1.0 110.294 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -170.47 -79.29 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.719 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.558 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 22.3 t-20 -63.45 -32.11 73.47 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.981 0.363 . . . . 1.0 111.981 -179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -51.81 -33.39 35.53 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.177 -0.675 . . . . 1.0 109.177 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -65.04 165.5 10.97 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.217 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.8 t -95.5 -68.47 0.8 Allowed 'General case' 0 CA--C 1.516 -0.363 0 C-N-CA 119.819 -0.753 . . . . 1.0 110.126 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.591 HD22 ' HE ' ' A' ' 66' ' ' ARG . 83.0 mt -125.77 116.83 22.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.626 -0.716 . . . . 1.0 110.368 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 11.7 t -77.23 142.32 39.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.828 -0.624 . . . . 1.0 110.01 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.3 mm -91.64 107.94 19.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.644 0.735 . . . . 1.0 110.263 -179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 8.5 t -151.72 134.97 15.95 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.04 -0.982 . . . . 1.0 109.961 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 35.3 p -87.65 166.56 14.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.929 -0.578 . . . . 1.0 109.887 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 51' ' ' GLU . 16.4 tppt? -55.46 -41.29 72.74 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.076 -0.511 . . . . 1.0 109.737 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -54.76 -43.57 72.85 Favored 'General case' 0 C--N 1.327 -0.38 0 O-C-N 123.373 0.421 . . . . 1.0 110.509 178.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -65.5 -37.48 86.91 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.996 -0.682 . . . . 1.0 109.697 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 51.6 t -64.86 -23.44 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.969 -0.56 . . . . 1.0 109.922 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 47' ' ' LYS . 93.1 mt-10 -67.31 -36.4 81.43 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 121.772 0.796 . . . . 1.0 109.498 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 87.4 mttt -62.7 -42.62 99.73 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.186 -1.37 . . . . 1.0 112.867 -177.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 17.2 mmt 51.68 44.85 28.92 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.84 -0.8 . . . . 1.0 108.84 -177.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.8 p -72.82 175.94 6.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.299 -0.864 . . . . 1.0 110.744 -179.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -58.82 -40.97 85.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.144 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -61.49 -40.32 94.14 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.119 -0.697 . . . . 1.0 109.119 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.4 tmm? -61.03 -39.1 88.5 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 109.776 -0.453 . . . . 1.0 109.776 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.86 -36.84 82.43 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.284 -0.566 . . . . 1.0 110.101 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 24.2 mm-40 -62.95 -45.01 94.46 Favored 'General case' 0 C--N 1.332 -0.196 0 N-CA-C 109.913 -0.403 . . . . 1.0 109.913 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.6 t -63.89 -44.44 98.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.628 -0.714 . . . . 1.0 109.356 179.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -60.43 -45.83 92.24 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.502 -0.555 . . . . 1.0 109.502 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.94 -23.09 67.12 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.826 -0.625 . . . . 1.0 110.74 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.558 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -87.16 -4.74 59.13 Favored 'General case' 0 CA--C 1.518 -0.251 0 CA-C-N 116.714 -0.221 . . . . 1.0 110.773 -178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' A' ' 64' ' ' ASN . 2.2 m120 55.75 55.59 6.95 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.499 -0.48 . . . . 1.0 110.589 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.615 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 55.5 t -118.84 123.54 71.68 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.342 0 N-CA-C 109.97 -0.381 . . . . 1.0 109.97 179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HE ' HD22 ' A' ' 42' ' ' LEU . 57.5 ttp180 -59.2 158.11 9.51 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.34 -0.985 . . . . 1.0 108.34 178.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.444 ' O ' ' O ' ' A' ' 91' ' ' SER . 50.9 t -114.66 133.69 60.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.927 -177.505 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.0 t -122.69 133.33 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 N-CA-C 108.961 -0.755 . . . . 1.0 108.961 179.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 2.0 t -71.89 154.05 41.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.176 0.512 . . . . 1.0 110.395 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.476 ' OE2' ' N ' ' A' ' 17' ' ' GLN . 84.7 tt0 -60.78 -34.99 75.32 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.147 -0.933 . . . . 1.0 111.859 -178.293 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -60.77 -15.94 35.05 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 110.089 -0.338 . . . . 1.0 110.089 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -60.46 -42.09 95.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.27 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 97.0 mt -58.83 -43.42 90.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.548 -0.751 . . . . 1.0 109.717 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.484 HE21 ' NE2' ' A' ' 17' ' ' GLN . 13.0 mt-30 -68.8 -37.08 79.01 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.34 -0.845 . . . . 1.0 110.653 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.547 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 87.7 m-20 -63.21 -48.34 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.317 0.488 . . . . 1.0 112.317 -178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 16.4 m -65.53 -42.75 93.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 119.721 -0.791 . . . . 1.0 109.797 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.2 p -64.33 -44.71 90.68 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.595 -0.73 . . . . 1.0 111.524 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -72.18 -49.02 38.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.917 0.389 . . . . 1.0 111.052 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.7 t -122.14 136.32 54.9 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.883 -0.599 . . . . 1.0 109.951 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.03 66.83 0.73 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.508 -0.315 . . . . 1.0 110.801 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -92.88 -158.49 0.61 Allowed 'General case' 0 CA--C 1.515 -0.368 0 CA-C-O 121.855 0.836 . . . . 1.0 110.662 -179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.6 m -76.41 139.4 40.9 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 113.962 -1.472 . . . . 1.0 110.983 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 22.9 tp -63.7 -43.02 97.83 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.3 -0.864 . . . . 1.0 111.592 179.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.2 mm-40 -62.23 -40.56 96.56 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.75 -0.659 . . . . 1.0 111.922 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -66.68 -41.93 87.32 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.113 -0.635 . . . . 1.0 110.684 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.1 mt -63.15 -42.01 99.38 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.687 ' C ' HD12 ' A' ' 87' ' ' LEU . 3.2 pp -80.31 -4.58 53.95 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 121.083 -0.247 . . . . 1.0 110.831 -178.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.5 p -64.01 -34.62 78.42 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 110.048 -0.353 . . . . 1.0 110.048 178.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -120.25 -37.08 3.11 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 112.635 0.606 . . . . 1.0 112.635 -178.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.547 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 45.1 m-70 -66.47 -29.37 69.47 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.752 0.311 . . . . 1.0 111.331 -179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.645 ' C ' ' H ' ' A' ' 93' ' ' SER . 77.8 p -61.84 -24.56 66.97 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 112.926 0.713 . . . . 1.0 112.926 -177.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.453 ' O ' ' O ' ' A' ' 93' ' ' SER . 73.2 mt 70.74 -24.65 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 108.629 -0.878 . . . . 1.0 108.629 -176.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.645 ' H ' ' C ' ' A' ' 91' ' ' SER . 26.2 t 52.96 123.22 0.0 OUTLIER 'General case' 0 C--N 1.341 0.212 0 CA-C-N 115.656 -0.702 . . . . 1.0 112.151 178.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.411 ' HB3' ' CE3' ' A' ' 95' ' ' TRP . 4.6 t -166.69 -56.27 0.03 OUTLIER 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.101 -0.954 . . . . 1.0 110.405 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.615 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 42.9 p90 -151.83 -164.88 2.08 Favored 'General case' 0 N--CA 1.47 0.53 0 N-CA-C 110.326 -0.25 . . . . 1.0 110.326 178.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 130.1 54.1 0.1 OUTLIER Glycine 0 N--CA 1.469 0.848 0 N-CA-C 111.273 -0.731 . . . . 1.0 111.273 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . 55.1 59.87 3.76 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 109.894 -0.41 . . . . 1.0 109.894 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 59.4 -172.82 0.11 Allowed 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.859 -0.61 . . . . 1.0 110.441 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 35.7 m -134.32 162.32 39.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.071 -179.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.9 mtmt -60.52 -87.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.754 -0.657 . . . . 1.0 111.821 -179.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 98.7 m-70 -127.71 -1.07 6.08 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.307 -0.406 . . . . 1.0 110.825 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -71.78 135.88 46.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.326 -0.397 . . . . 1.0 111.173 -179.289 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 77.5 t60 39.38 90.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.802 -0.636 . . . . 1.0 110.719 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.436 ' O ' ' C ' ' A' ' 105' ' ' HIS . 98.3 m-70 -59.67 113.5 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.18 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.436 ' C ' ' O ' ' A' ' 104' ' ' HIS . 75.7 m80 27.62 -93.64 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 115.692 -0.685 . . . . 1.0 111.774 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 72.6 m80 . . . . . 0 C--O 1.222 -0.379 0 CA-C-O 118.03 -0.986 . . . . 1.0 110.375 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.4 mtp . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.086 0.469 . . . . 1.0 110.172 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 7.8 mtmp? 49.51 62.41 12.08 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.795 -0.638 . . . . 1.0 110.235 179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 69.4 Cg_endo -80.72 -53.13 0.04 OUTLIER 'Trans proline' 0 N--CA 1.492 1.43 0 C-N-CA 122.506 2.137 . . . . 1.0 113.867 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.608 HD12 HD11 ' A' ' 9' ' ' ILE . 4.2 mm? -96.34 1.32 51.77 Favored 'General case' 0 N--CA 1.468 0.462 0 N-CA-C 111.574 0.213 . . . . 1.0 111.574 -178.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.481 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 6.5 m -78.56 128.11 33.07 Favored 'General case' 0 C--N 1.32 -0.68 0 C-N-CA 120.574 -0.45 . . . . 1.0 110.744 -179.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 5' ' ' SER . 12.3 m120 95.22 18.97 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.578 0 O-C-N 124.245 0.966 . . . . 1.0 110.423 179.47 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.508 ' SD ' HD13 ' A' ' 4' ' ' LEU . 24.5 ptm -150.85 153.75 35.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.883 -0.598 . . . . 1.0 110.551 179.069 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.411 ' O ' ' OG ' ' A' ' 41' ' ' SER . 12.7 mptt -100.2 160.4 14.36 Favored 'General case' 0 CA--C 1.519 -0.242 0 CA-C-O 121.38 0.61 . . . . 1.0 110.128 178.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.608 HD11 HD12 ' A' ' 4' ' ' LEU . 88.8 mt -129.14 151.56 35.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.379 -0.828 . . . . 1.0 111.409 -178.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -136.15 137.45 40.96 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.945 -0.571 . . . . 1.0 110.763 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.6 p -104.2 115.84 31.13 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.52 -0.918 . . . . 1.0 108.52 177.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 56' ' ' LYS . 42.7 tp -82.47 -77.22 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.339 . . . . 1.0 111.202 -178.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.7 -154.2 30.01 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.226 -0.511 . . . . 1.0 111.946 -178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -56.2 147.59 20.31 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.001 -0.599 . . . . 1.0 111.155 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.0 tp -106.92 127.34 53.35 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.422 -0.808 . . . . 1.0 110.87 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.0 m -62.33 -43.78 98.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.794 -0.639 . . . . 1.0 110.488 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.469 ' HB3' ' HB2' ' A' ' 22' ' ' ALA . 9.8 mt-30 -68.68 170.08 10.01 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.419 -0.81 . . . . 1.0 110.152 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.41 HD22 ' CD ' ' A' ' 21' ' ' GLU . 68.7 m-80 -77.01 -147.54 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 120.176 -0.61 . . . . 1.0 109.426 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.571 ' HD3' ' HZ1' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -105.42 -58.79 1.85 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.845 0.355 . . . . 1.0 110.543 -179.263 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -68.86 -36.77 78.53 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.916 -0.584 . . . . 1.0 111.098 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.41 ' CD ' HD22 ' A' ' 18' ' ' ASN . 95.1 mt-10 -70.16 -45.84 65.92 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.237 0.458 . . . . 1.0 112.237 -177.729 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' HB2' ' HB3' ' A' ' 17' ' ' GLN . . . -60.93 -46.26 91.39 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 119.868 -0.733 . . . . 1.0 109.696 -179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.571 ' HZ1' ' HD3' ' A' ' 19' ' ' LYS . 98.1 mttt -63.11 -43.39 98.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.72 -0.673 . . . . 1.0 111.186 179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.72 -44.63 95.73 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.499 -0.481 . . . . 1.0 110.653 -179.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -68.64 -42.08 78.52 Favored 'General case' 0 C--O 1.22 -0.45 0 CA-C-N 116.247 -0.433 . . . . 1.0 111.532 179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -63.28 -44.38 99.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.628 -0.429 . . . . 1.0 112.132 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -71.03 -33.66 70.55 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.43 -0.508 . . . . 1.0 112.308 -179.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.0 ttpt -60.26 -43.65 95.97 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.596 -179.272 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 51.2 mt -63.48 -41.88 98.58 Favored 'General case' 0 CA--C 1.513 -0.477 0 CA-C-O 122.309 1.052 . . . . 1.0 109.446 178.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 134.57 -7.52 4.59 Favored Glycine 0 C--N 1.316 -0.533 0 N-CA-C 107.94 -2.064 . . . . 1.0 107.94 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.07 149.0 42.37 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.052 -0.819 . . . . 1.0 111.052 179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -132.54 151.52 51.89 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-O 120.862 0.363 . . . . 1.0 110.448 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 94.0 mt -104.18 119.72 39.57 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.543 -0.298 . . . . 1.0 110.34 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 35' ' ' GLY . 1.8 t 173.87 173.9 0.16 Allowed 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.453 -0.34 . . . . 1.0 110.881 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.437 ' N ' ' OG1' ' A' ' 34' ' ' THR . . . 103.41 141.67 11.49 Favored Glycine 0 CA--C 1.528 0.884 0 CA-C-N 116.147 -0.479 . . . . 1.0 112.355 178.409 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -73.85 -41.71 61.87 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-O 121.107 0.48 . . . . 1.0 110.154 178.54 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -171.78 -80.25 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 115.575 -0.738 . . . . 1.0 110.345 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.496 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 20.0 t-20 -63.68 -28.92 70.23 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 120.895 -0.322 . . . . 1.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -56.72 -35.74 68.9 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.482 -0.562 . . . . 1.0 109.482 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -70.55 161.38 30.76 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.166 -0.679 . . . . 1.0 109.166 178.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.411 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 89.2 p -98.37 -61.38 1.39 Allowed 'General case' 0 N--CA 1.464 0.265 0 C-N-CA 119.992 -0.683 . . . . 1.0 109.772 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 90.5 mt -124.94 116.76 22.69 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.656 -0.702 . . . . 1.0 110.008 179.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.476 ' SG ' ' N ' ' A' ' 44' ' ' ILE . 2.8 t -82.01 154.94 25.42 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.452 -0.795 . . . . 1.0 110.264 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.476 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 46.9 mm -100.36 113.47 36.13 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.273 0 CA-C-O 121.172 0.511 . . . . 1.0 110.577 -179.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 26.9 m -159.45 159.53 33.7 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.476 -0.783 . . . . 1.0 110.277 178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.1 p -122.57 172.9 8.04 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.447 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.586 ' HG2' HD22 ' A' ' 92' ' ' LEU . 26.0 mmtt -57.06 -42.21 80.18 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.188 0.518 . . . . 1.0 109.64 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -52.93 -9.54 0.13 Allowed 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.366 -0.834 . . . . 1.0 110.501 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.441 ' H ' ' C ' ' A' ' 47' ' ' LYS . 94.6 mt-10 -113.77 -42.89 3.35 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.149 0.499 . . . . 1.0 110.211 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.2 t -65.41 -42.35 93.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.748 -0.66 . . . . 1.0 111.711 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -54.95 -31.48 60.6 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.155 -0.475 . . . . 1.0 111.718 -177.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.5 mttm -65.03 -38.44 90.89 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.789 -0.641 . . . . 1.0 110.78 -178.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 14.5 mmt 58.26 50.51 9.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.935 -0.575 . . . . 1.0 110.189 -179.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 16.2 p -81.26 177.35 9.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.49 -0.777 . . . . 1.0 110.992 179.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.8 mttt -60.51 -37.27 80.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.453 -0.794 . . . . 1.0 109.793 -179.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 12' ' ' LEU . 75.6 mmtt -59.28 -42.56 91.56 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.605 -0.725 . . . . 1.0 109.898 179.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.1 tmm? -63.3 -38.67 92.07 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.368 0.604 . . . . 1.0 109.695 179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.12 -38.01 81.74 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.303 -0.862 . . . . 1.0 110.019 -179.663 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -60.54 -46.11 91.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.77 0.319 . . . . 1.0 110.329 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 66.4 t -65.11 -44.87 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 N-CA-C 109.22 -0.659 . . . . 1.0 109.22 179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -61.99 -45.13 94.98 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.279 -0.873 . . . . 1.0 111.87 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.04 -11.64 60.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.25 0.548 . . . . 1.0 109.797 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.496 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.95 0.15 55.92 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.506 -179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' A' ' 64' ' ' ASN . 4.6 m120 56.49 54.01 7.98 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 120.753 -0.379 . . . . 1.0 110.565 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.561 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 72.8 t -124.56 115.82 45.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.242 0 CA-C-O 120.828 0.347 . . . . 1.0 110.612 -179.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 64.5 ttp85 -62.84 158.05 19.87 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.644 -0.873 . . . . 1.0 108.644 178.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.507 ' O ' ' O ' ' A' ' 91' ' ' SER . 47.8 t -116.44 134.49 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 120.816 0.341 . . . . 1.0 111.372 -177.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 29.5 m -127.18 132.25 69.88 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 N-CA-C 109.585 -0.524 . . . . 1.0 109.585 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -79.4 151.33 30.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.177 0.513 . . . . 1.0 110.585 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.553 ' O ' ' NE2' ' A' ' 74' ' ' GLN . 59.4 mp0 -46.15 -26.76 0.82 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.466 -0.788 . . . . 1.0 111.871 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -64.3 -18.86 65.0 Favored 'General case' 0 C--N 1.318 -0.791 0 C-N-CA 120.477 -0.489 . . . . 1.0 109.861 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -63.28 -43.91 96.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.504 -0.771 . . . . 1.0 110.594 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 99.3 mt -62.03 -43.11 99.53 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.939 -0.573 . . . . 1.0 110.152 -178.215 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.553 ' NE2' ' O ' ' A' ' 70' ' ' GLU . 3.3 mp0 -72.37 -34.79 68.23 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.062 -0.972 . . . . 1.0 111.22 -179.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -61.47 -47.68 84.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.023 -0.535 . . . . 1.0 111.467 -179.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 17.9 m -68.42 -38.35 79.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.269 0 CA-C-O 121.396 0.617 . . . . 1.0 110.742 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 86.1 p -61.24 -40.03 92.55 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.533 -0.758 . . . . 1.0 110.808 -178.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.32 -66.57 0.91 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.945 -0.57 . . . . 1.0 111.811 -179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.478 ' OG ' ' CD ' ' A' ' 81' ' ' LYS . 1.8 t -68.42 -38.37 81.16 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.837 -0.619 . . . . 1.0 111.712 -178.057 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 53.56 31.44 12.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.958 0.408 . . . . 1.0 110.894 -179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.478 ' CD ' ' OG ' ' A' ' 79' ' ' SER . 47.3 mtpt -68.39 -175.08 0.59 Allowed 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.963 0.887 . . . . 1.0 112.697 -179.79 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 20.2 m -72.15 150.7 43.57 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 114.038 -1.437 . . . . 1.0 111.577 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.79 -41.1 99.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.056 -0.975 . . . . 1.0 110.902 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 91.2 mm-40 -64.14 -41.45 97.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.879 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -66.96 -41.92 86.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.971 0.415 . . . . 1.0 110.97 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 70.8 mt -63.25 -41.92 99.12 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.029 -0.532 . . . . 1.0 112.268 -178.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.695 ' C ' HD12 ' A' ' 87' ' ' LEU . 4.0 pp -79.33 -5.13 53.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.085 0.469 . . . . 1.0 110.564 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.441 ' N ' HD12 ' A' ' 87' ' ' LEU . 18.6 m -61.49 -40.49 94.75 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.719 -0.474 . . . . 1.0 109.719 178.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -124.07 -20.9 5.19 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.814 0.672 . . . . 1.0 112.814 -178.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -87.92 -7.5 57.06 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.309 0.485 . . . . 1.0 112.309 -178.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.594 ' O ' ' N ' ' A' ' 93' ' ' SER . 69.5 p -60.2 -30.15 69.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.194 0.442 . . . . 1.0 112.194 -178.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.586 HD22 ' HG2' ' A' ' 47' ' ' LYS . 81.8 mt 43.92 13.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.065 0.459 . . . . 1.0 110.774 -179.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.594 ' N ' ' O ' ' A' ' 91' ' ' SER . 4.0 t -154.41 171.72 18.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.984 -0.553 . . . . 1.0 110.634 -179.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.426 ' N ' ' OG ' ' A' ' 93' ' ' SER . 19.7 m -134.13 28.99 3.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.908 -0.587 . . . . 1.0 109.739 179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.561 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 24.4 p90 -141.4 167.45 22.13 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.665 -0.698 . . . . 1.0 110.99 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 141.04 59.13 0.03 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.184 -1.166 . . . . 1.0 110.184 -179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.421 ' O ' ' O ' ' A' ' 98' ' ' GLU . . . 47.65 27.34 1.01 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.758 0.313 . . . . 1.0 110.95 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.421 ' O ' ' O ' ' A' ' 97' ' ' ALA . 95.9 mt-10 44.36 -170.63 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.038 0.446 . . . . 1.0 110.975 179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 11.7 t -107.41 92.78 2.2 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-N 116.042 -0.527 . . . . 1.0 110.524 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -110.74 2.19 18.29 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.624 -0.716 . . . . 1.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -62.19 -43.46 98.79 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 109.631 -0.507 . . . . 1.0 109.631 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -145.41 156.51 43.8 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.735 -0.666 . . . . 1.0 110.575 179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . 0.446 ' CG ' ' O ' ' A' ' 103' ' ' HIS . 25.9 t-80 48.97 41.83 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.442 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' H ' ' CD2' ' A' ' 104' ' ' HIS . 4.2 p80 -57.7 -43.55 85.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.899 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -136.01 142.93 44.53 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.996 0.427 . . . . 1.0 110.724 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 33.7 p80 . . . . . 0 C--O 1.223 -0.335 0 CA-C-O 117.963 -1.017 . . . . 1.0 110.909 -179.756 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.464 ' N ' ' O ' ' A' ' 29' ' ' LEU . 66.5 mtt . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 109.914 -0.402 . . . . 1.0 109.914 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.611 ' H ' ' CD ' ' A' ' 3' ' ' PRO . 18.0 tptt -171.55 -39.53 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.422 0 N-CA-C 112.726 0.639 . . . . 1.0 112.726 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.611 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 95.2 Cg_endo -89.1 -57.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.319 -0.998 0 C-N-CA 121.446 1.43 . . . . 1.0 113.804 -177.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 29' ' ' LEU . 90.4 mt -99.3 -2.63 35.98 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 112.607 0.595 . . . . 1.0 112.607 -178.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.8 t -65.04 -34.8 79.29 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 112.483 0.549 . . . . 1.0 112.483 -179.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -98.71 13.37 32.44 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.513 0.56 . . . . 1.0 112.513 -177.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 22.0 ptm -148.51 158.74 44.32 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 120.302 -0.559 . . . . 1.0 111.942 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 mptt -104.23 153.42 21.01 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.787 -0.642 . . . . 1.0 110.2 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.8 mm -121.41 137.33 55.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 115.842 -0.617 . . . . 1.0 111.739 -178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.8 tt -110.25 133.12 53.56 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 109.598 -0.519 . . . . 1.0 109.598 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 70.1 p -118.37 125.79 50.75 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 116.62 -0.263 . . . . 1.0 111.069 -179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.52 ' CD1' ' SG ' ' A' ' 43' ' ' CYS . 9.2 mp -62.25 -42.1 99.02 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 109.487 -0.56 . . . . 1.0 109.487 179.063 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 158.33 -68.17 0.27 Allowed Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -63.93 130.77 45.44 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 109.645 -0.502 . . . . 1.0 109.645 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD11 ' OE2' ' A' ' 70' ' ' GLU . 23.3 tp -131.72 133.1 44.46 Favored 'General case' 0 N--CA 1.463 0.21 0 N-CA-C 109.678 -0.489 . . . . 1.0 109.678 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 7.8 t -61.26 -44.6 96.97 Favored 'General case' 0 N--CA 1.463 0.21 0 C-N-CA 120.618 -0.433 . . . . 1.0 110.873 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.414 ' CD ' ' OE2' ' A' ' 70' ' ' GLU . 5.4 mt-30 -57.42 172.89 0.3 Allowed 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.308 -0.627 . . . . 1.0 109.308 178.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.546 HD22 ' CD ' ' A' ' 21' ' ' GLU . 66.9 m-80 -74.26 -76.57 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.744 -0.382 . . . . 1.0 111.68 -178.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.88 -63.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.109 0.48 . . . . 1.0 109.967 -179.505 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.68 -38.96 93.07 Favored 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 115.552 -0.749 . . . . 1.0 110.536 -179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.546 ' CD ' HD22 ' A' ' 18' ' ' ASN . 20.8 pt-20 -68.91 -40.99 78.78 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.596 -0.729 . . . . 1.0 110.867 -179.133 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' N ' ' CG ' ' A' ' 21' ' ' GLU . . . -59.44 -50.88 72.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.368 -0.833 . . . . 1.0 110.059 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -62.58 -43.84 97.82 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 114.978 -1.01 . . . . 1.0 111.266 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -62.58 -49.54 74.86 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.274 -0.421 . . . . 1.0 111.877 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 20.1 ptm -67.87 -41.18 83.25 Favored 'General case' 0 C--O 1.225 -0.201 0 C-N-CA 120.033 -0.667 . . . . 1.0 112.247 -179.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 80.6 mt -63.19 -44.18 99.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 C-N-CA 120.709 -0.396 . . . . 1.0 111.701 -179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -75.62 -30.65 59.59 Favored 'General case' 0 CA--C 1.534 0.343 0 N-CA-C 111.764 0.283 . . . . 1.0 111.764 179.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -59.3 -44.81 92.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.981 0.42 . . . . 1.0 110.628 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.763 HD12 HD12 ' A' ' 4' ' ' LEU . 78.0 mt -62.74 -39.78 95.16 Favored 'General case' 0 CA--C 1.505 -0.774 0 N-CA-C 107.786 -1.191 . . . . 1.0 107.786 178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 126.59 0.91 7.2 Favored Glycine 0 N--CA 1.447 -0.611 0 N-CA-C 107.377 -2.289 . . . . 1.0 107.377 -177.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.85 154.32 36.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -139.03 153.29 48.09 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.109 -0.33 . . . . 1.0 110.109 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 96.4 mt -95.57 125.75 40.39 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.37 -0.377 . . . . 1.0 110.352 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 119.46 34.37 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.136 0.493 . . . . 1.0 110.754 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -37.4 85.86 Favored Glycine 0 CA--C 1.525 0.701 0 CA-C-N 115.356 -0.838 . . . . 1.0 111.765 179.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 28.9 m -64.28 142.41 58.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.556 0.217 . . . . 1.0 110.653 -179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -91.69 157.2 17.08 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.364 -0.38 . . . . 1.0 109.996 179.122 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.538 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 7.6 t-20 72.72 -35.93 0.34 Allowed 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.578 -0.737 . . . . 1.0 110.359 -178.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.488 ' H ' ' C ' ' A' ' 37' ' ' ALA . 65.4 tttm -64.78 -37.86 89.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.381 0.61 . . . . 1.0 109.48 179.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.73 176.74 2.34 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.277 -0.874 . . . . 1.0 110.262 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 31.7 m -106.84 -68.08 0.91 Allowed 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 120.66 -0.416 . . . . 1.0 110.49 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.8 mt -119.05 120.94 38.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.728 0.775 . . . . 1.0 110.835 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.52 ' SG ' ' CD1' ' A' ' 12' ' ' LEU . 5.4 t -80.05 151.87 29.69 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 114.723 -1.126 . . . . 1.0 110.069 179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.424 ' N ' ' SG ' ' A' ' 43' ' ' CYS . 11.7 mm -102.23 108.9 24.93 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.265 0 N-CA-C 109.666 -0.494 . . . . 1.0 109.666 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.4 ' O ' ' CD1' ' A' ' 92' ' ' LEU . 8.1 t -158.72 136.21 10.12 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.589 -0.732 . . . . 1.0 109.771 178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 57.5 p -90.6 167.2 12.73 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.009 -0.541 . . . . 1.0 110.322 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.543 ' HG2' HD22 ' A' ' 92' ' ' LEU . 18.8 mmtt -56.03 -39.92 72.69 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-N 116.312 -0.404 . . . . 1.0 110.161 178.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 52' ' ' LYS . 32.5 mtmm -55.96 -42.87 76.89 Favored 'General case' 0 C--N 1.313 -0.993 0 C-N-CA 119.371 -0.932 . . . . 1.0 109.098 -178.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -71.04 -43.55 67.61 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 112.761 0.652 . . . . 1.0 112.761 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 75.2 t -65.67 -42.45 92.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.421 0 CA-C-O 120.914 0.387 . . . . 1.0 110.555 -178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -55.23 -33.35 63.03 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 112.555 0.576 . . . . 1.0 112.555 -178.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 48' ' ' LYS . 53.6 mttt -64.79 -38.41 90.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.574 0.226 . . . . 1.0 111.177 -179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 9.9 mmt 60.51 54.35 3.82 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.769 -0.65 . . . . 1.0 109.97 -178.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 73.1 m -82.66 -176.34 6.22 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.186 -0.916 . . . . 1.0 111.292 -179.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 64.8 tttm -59.92 -43.77 94.71 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 115.698 -0.683 . . . . 1.0 111.45 -178.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -61.66 -41.12 97.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.761 0.315 . . . . 1.0 110.233 179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.2 tmm? -61.62 -37.99 86.01 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.148 -0.686 . . . . 1.0 109.148 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.33 -39.19 78.78 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-N 115.333 -0.848 . . . . 1.0 109.558 179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 3.7 mm-40 -65.87 -42.58 90.19 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.367 -0.605 . . . . 1.0 109.367 179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 68.7 t -63.77 -47.98 88.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.612 -0.722 . . . . 1.0 111.185 -179.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -63.52 -44.36 94.5 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.977 0.418 . . . . 1.0 110.62 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.25 -10.84 59.67 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.489 -0.323 . . . . 1.0 110.971 -179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.538 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -93.57 -2.73 53.86 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 110.167 -0.309 . . . . 1.0 110.167 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 3.4 m120 57.68 56.24 5.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 1.0 111.232 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.541 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 54.0 t -125.24 125.97 70.06 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.18 0 N-CA-C 109.199 -0.667 . . . . 1.0 109.199 178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 54.6 ttm-85 -64.64 151.46 44.8 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.525 -0.917 . . . . 1.0 108.525 179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.9 t -117.18 131.95 68.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.165 -177.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.1 m -134.81 157.43 40.99 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.188 0 N-CA-C 108.892 -0.781 . . . . 1.0 108.892 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 70' ' ' GLU . 0.8 OUTLIER -79.27 155.38 28.56 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 179.758 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.535 ' OE2' HD11 ' A' ' 15' ' ' LEU . 79.7 tt0 -61.11 -34.17 74.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.798 -0.637 . . . . 1.0 110.857 -177.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.1 m-20 -49.42 -14.25 0.1 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.186 -0.672 . . . . 1.0 109.186 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.497 ' N ' ' C ' ' A' ' 70' ' ' GLU . 10.5 t80 -59.89 -41.03 90.7 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-N 115.34 -0.845 . . . . 1.0 108.916 177.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.421 ' CD2' HD11 ' A' ' 4' ' ' LEU . 93.4 mt -59.56 -42.07 91.58 Favored 'General case' 0 N--CA 1.452 -0.366 0 N-CA-C 109.036 -0.727 . . . . 1.0 109.036 179.633 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -65.97 -39.11 90.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.194 0.521 . . . . 1.0 110.297 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.567 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 98.7 m-20 -62.14 -48.61 79.34 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.461 -0.791 . . . . 1.0 112.504 -178.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.423 HG13 ' CE1' ' A' ' 72' ' ' PHE . 18.9 m -70.0 -37.87 73.72 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.438 0 CA-C-O 121.716 0.769 . . . . 1.0 109.673 179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.8 t -62.2 -43.45 98.81 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 114.572 -1.195 . . . . 1.0 110.64 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.76 -63.12 1.43 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 1.0 111.018 -179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.7 t -105.92 125.04 50.52 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.018 -0.537 . . . . 1.0 111.34 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -107.31 69.21 0.74 Allowed 'General case' 0 N--CA 1.463 0.202 0 N-CA-C 109.946 -0.39 . . . . 1.0 109.946 179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.494 ' HZ2' ' HG ' ' A' ' 86' ' ' LEU . 22.9 pttp -103.04 -153.3 0.47 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.582 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 36.5 t -63.39 132.36 51.21 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.067 0.46 . . . . 1.0 111.443 -178.101 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 51.0 mt -64.49 -42.8 95.64 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.226 -0.897 . . . . 1.0 109.067 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 5.1 mp0 -58.56 -42.36 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 113.647 -1.615 . . . . 1.0 111.015 -178.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.438 ' O ' ' OG ' ' A' ' 88' ' ' SER . 81.7 tt0 -66.42 -38.87 88.41 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.036 -0.529 . . . . 1.0 109.829 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.494 ' HG ' ' HZ2' ' A' ' 81' ' ' LYS . 93.1 mt -64.52 -44.0 92.26 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.318 -0.553 . . . . 1.0 111.961 -179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.434 ' O ' ' OG ' ' A' ' 91' ' ' SER . 3.7 pp -80.87 -17.07 51.91 Favored 'General case' 0 CA--C 1.519 -0.249 0 C-N-CA 120.642 -0.423 . . . . 1.0 111.563 -178.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 76.2 p -63.32 -40.31 96.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.336 -0.546 . . . . 1.0 110.638 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.42 -21.96 15.2 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.348 -0.387 . . . . 1.0 111.765 -179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.567 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 39.8 m-70 -90.47 -11.43 40.36 Favored 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 120.774 -0.371 . . . . 1.0 111.004 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 87' ' ' LEU . 3.1 p -67.38 94.22 0.38 Allowed 'General case' 0 CA--C 1.516 -0.359 0 CA-C-O 121.708 0.766 . . . . 1.0 111.013 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.543 HD22 ' HG2' ' A' ' 47' ' ' LYS . 83.0 mt -69.83 -21.48 63.37 Favored 'General case' 0 C--N 1.306 -1.304 0 CA-C-N 114.477 -1.238 . . . . 1.0 110.273 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 74.8 m -126.46 156.05 41.28 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.283 0.563 . . . . 1.0 111.486 -178.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 37.4 p -104.88 24.11 12.41 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 115.527 -0.76 . . . . 1.0 111.004 -179.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.541 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.5 p90 -132.3 173.39 11.32 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.673 0.273 . . . . 1.0 110.693 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' O ' ' HB2' ' A' ' 97' ' ' ALA . . . 158.77 -7.61 0.16 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 120.736 -0.745 . . . . 1.0 112.42 -179.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 96' ' ' GLY . . . 172.81 30.86 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.365 0 N-CA-C 110.482 -0.192 . . . . 1.0 110.482 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -95.32 141.41 28.93 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-O 121.079 0.466 . . . . 1.0 111.126 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 17.1 m -135.21 163.85 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 CA-C-N 115.477 -0.783 . . . . 1.0 110.322 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -140.51 -87.43 0.19 Allowed 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.659 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -94.83 -7.93 38.84 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.319 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 76.9 m80 58.92 151.91 0.02 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 115.334 -0.848 . . . . 1.0 110.563 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -148.77 90.65 1.79 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.907 -0.588 . . . . 1.0 109.78 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -100.98 26.24 7.18 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.724 -0.671 . . . . 1.0 110.939 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.43 ' CD2' ' N ' ' A' ' 105' ' ' HIS . 2.3 p80 -150.71 163.68 37.96 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.167 0.508 . . . . 1.0 110.909 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 28.7 p80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.938 -1.029 . . . . 1.0 110.063 -179.733 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.8 ttp . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.136 -0.69 . . . . 1.0 109.136 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 34.23 59.07 2.09 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 115.467 -0.788 . . . . 1.0 111.748 179.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -84.18 -56.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.311 -1.434 0 C-N-CA 121.859 1.706 . . . . 1.0 112.38 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.507 HD12 HD11 ' A' ' 9' ' ' ILE . 4.2 mm? -99.26 0.85 43.97 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.775 -0.193 . . . . 1.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 29' ' ' LEU . 6.5 m -79.17 -7.77 58.48 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.219 0.452 . . . . 1.0 112.219 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -114.85 14.84 17.42 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.637 0.256 . . . . 1.0 111.254 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.402 ' SD ' HD13 ' A' ' 4' ' ' LEU . 16.7 ptm -152.98 160.89 43.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.063 0.458 . . . . 1.0 111.373 -178.131 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt -100.37 155.67 17.68 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.376 -0.829 . . . . 1.0 110.31 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.507 HD11 HD12 ' A' ' 4' ' ' LEU . 96.0 mt -125.17 140.59 47.74 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 CA-C-N 115.883 -0.599 . . . . 1.0 112.538 -177.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.1 tt -120.93 137.61 54.52 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.189 -0.914 . . . . 1.0 110.395 178.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 80.9 p -99.68 112.31 24.55 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.647 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.9 tt -64.0 -43.3 96.07 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.741 -178.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 176.6 -94.08 0.1 OUTLIER Glycine 0 CA--C 1.525 0.672 0 C-N-CA 120.54 -0.838 . . . . 1.0 112.317 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -69.79 131.87 45.19 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.802 0.334 . . . . 1.0 110.35 -179.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -122.73 131.44 53.79 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.271 -179.808 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.3 t -61.73 -46.71 88.45 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.605 -179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -71.59 170.91 12.41 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.982 -0.377 . . . . 1.0 109.982 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.598 HD21 ' CD ' ' A' ' 21' ' ' GLU . 18.2 p30 -91.89 169.96 10.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.113 0.482 . . . . 1.0 110.544 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.1 ttpt -49.95 -71.8 0.06 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 113.508 0.929 . . . . 1.0 113.508 -178.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -57.19 -48.34 79.01 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 113.777 1.028 . . . . 1.0 113.777 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.598 ' CD ' HD21 ' A' ' 18' ' ' ASN . 48.9 mt-10 -69.71 -41.69 75.03 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.205 -0.598 . . . . 1.0 112.53 -178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.2 -49.55 75.65 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.755 0.788 . . . . 1.0 109.38 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -63.06 -43.7 97.87 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.4 -1.273 . . . . 1.0 110.272 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.58 -47.68 85.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.864 179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.449 ' O ' ' SD ' ' A' ' 25' ' ' MET . 3.0 tpp -62.9 -44.75 95.24 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-N 116.593 -0.276 . . . . 1.0 111.009 179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 63.9 mt -62.24 -44.71 99.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 112.231 0.456 . . . . 1.0 112.231 -179.226 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -70.88 -31.6 68.31 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.672 -0.411 . . . . 1.0 111.134 179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 33.9 ttpt -59.66 -45.86 90.77 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.448 -0.342 . . . . 1.0 111.36 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' OG ' ' A' ' 5' ' ' SER . 12.7 mt -63.44 -41.75 98.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 122.123 0.963 . . . . 1.0 109.147 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 133.27 -3.64 4.8 Favored Glycine 0 C--N 1.319 -0.366 0 N-CA-C 108.237 -1.945 . . . . 1.0 108.237 -177.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -60.98 151.64 41.38 Favored Glycine 0 CA--C 1.528 0.862 0 N-CA-C 110.715 -0.954 . . . . 1.0 110.715 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.2 mtpt -132.47 150.95 52.07 Favored 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.681 0.276 . . . . 1.0 110.46 -179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' O ' ' OG1' ' A' ' 34' ' ' THR . 90.0 mt -101.38 107.08 18.32 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 109.801 -0.444 . . . . 1.0 109.801 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 33' ' ' LEU . 3.5 m -170.27 164.07 8.92 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.151 0.501 . . . . 1.0 111.276 -179.569 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' HG22 ' A' ' 34' ' ' THR . . . 101.2 128.3 6.34 Favored Glycine 0 CA--C 1.522 0.501 0 CA-C-N 115.397 -0.82 . . . . 1.0 111.186 178.556 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 78.2 p -68.06 -38.35 82.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.471 0.177 . . . . 1.0 111.073 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -161.37 -89.33 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 120.908 -0.317 . . . . 1.0 111.367 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.3 t-20 -64.34 -31.02 72.05 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 112.498 0.555 . . . . 1.0 112.498 -179.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 76.8 tttt -52.37 -35.34 51.13 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.897 -0.321 . . . . 1.0 110.247 -178.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.73 174.28 7.03 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 120.742 -0.383 . . . . 1.0 110.109 179.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.58 ' C ' HD12 ' A' ' 42' ' ' LEU . 9.9 t -100.88 -76.92 0.55 Allowed 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.214 0.531 . . . . 1.0 109.911 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.632 HD21 HH21 ' A' ' 66' ' ' ARG . 8.6 mp -116.23 123.58 48.1 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.633 -0.712 . . . . 1.0 109.353 179.186 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 48.4 t -82.63 143.71 30.8 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.771 -0.65 . . . . 1.0 110.785 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.514 HD13 HG13 ' A' ' 68' ' ' VAL . 4.6 mm -91.85 109.55 21.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.166 0.508 . . . . 1.0 110.148 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 3.5 t -154.0 139.96 18.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.503 -0.771 . . . . 1.0 110.655 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.5 p -84.01 168.97 15.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.547 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -61.85 -37.48 84.64 Favored 'General case' 0 C--O 1.222 -0.364 0 N-CA-C 109.225 -0.657 . . . . 1.0 109.225 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -58.94 -41.1 86.59 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.626 -0.715 . . . . 1.0 110.461 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -65.8 -41.0 92.43 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.801 0.334 . . . . 1.0 110.932 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.2 t -64.66 -42.15 94.25 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 CA-C-N 115.773 -0.649 . . . . 1.0 111.773 -178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -53.73 -29.51 39.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 1.0 111.431 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 42.3 mttm -65.32 -41.61 93.84 Favored 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 115.788 -0.642 . . . . 1.0 111.819 -178.525 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 13.7 mmt 57.29 47.3 17.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.818 -0.628 . . . . 1.0 109.381 -177.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 89.5 p -74.96 174.87 8.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.135 -0.939 . . . . 1.0 110.887 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 89.0 tttt -59.82 -37.88 80.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.636 179.341 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 32.8 mmtp -63.1 -40.73 98.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.053 -0.521 . . . . 1.0 109.869 178.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -61.73 -40.17 94.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.984 0.421 . . . . 1.0 110.744 178.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.44 -31.84 69.66 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.948 -0.569 . . . . 1.0 110.622 -179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 19.8 mt-10 -66.2 -45.49 80.63 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 119.863 -0.735 . . . . 1.0 109.706 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.6 t -64.4 -46.35 93.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.523 . . . . 1.0 109.726 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -63.97 -44.5 92.54 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.46 -0.791 . . . . 1.0 111.588 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -77.48 -11.26 59.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.221 0.534 . . . . 1.0 110.563 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.405 ' HB2' ' O ' ' A' ' 59' ' ' GLU . . . -95.05 0.51 54.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.677 -0.692 . . . . 1.0 110.179 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.406 HD22 ' HA ' ' A' ' 64' ' ' ASN . 7.5 m120 57.91 57.03 4.35 Favored 'General case' 0 CA--C 1.52 -0.178 0 CA-C-O 121.205 0.526 . . . . 1.0 110.679 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.559 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 67.3 t -124.13 116.39 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.503 -0.771 . . . . 1.0 109.732 178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.632 HH21 HD21 ' A' ' 42' ' ' LEU . 56.1 ttp180 -65.9 157.02 31.71 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.451 -0.574 . . . . 1.0 109.451 179.122 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 77.4 t -111.22 132.8 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.282 0 CA-C-O 121.07 0.462 . . . . 1.0 110.4 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.514 HG13 HD13 ' A' ' 44' ' ' ILE . 13.7 p -122.8 134.27 66.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-N 115.79 -0.641 . . . . 1.0 109.781 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -78.54 159.96 27.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.27 -178.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 57.7 mp0 -63.4 -33.93 76.62 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.211 0.449 . . . . 1.0 112.211 -178.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -59.11 -15.88 16.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.107 -0.637 . . . . 1.0 109.332 -179.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -61.04 -41.91 97.49 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.403 177.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.77 -42.44 97.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.222 -0.899 . . . . 1.0 110.396 -178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -67.27 -40.05 86.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.423 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.446 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 95.2 m-20 -63.06 -47.99 80.6 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.87 -0.605 . . . . 1.0 111.99 -177.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.9 m -68.74 -37.6 77.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 C-N-CA 120.137 -0.625 . . . . 1.0 110.74 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 99.8 p -62.62 -38.31 89.72 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.844 -0.616 . . . . 1.0 110.864 -178.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -105.26 -64.83 1.1 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 112.608 0.595 . . . . 1.0 112.608 -178.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.406 ' N ' ' O ' ' A' ' 75' ' ' ASP . 2.6 m -61.13 -41.61 97.03 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.864 -0.607 . . . . 1.0 112.258 -177.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 50.78 42.07 27.18 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.036 0.384 . . . . 1.0 112.036 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -79.71 -168.35 1.55 Allowed 'General case' 0 CA--C 1.519 -0.229 0 CA-C-O 121.82 0.819 . . . . 1.0 111.389 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 17.5 m -73.41 144.03 46.52 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 114.113 -1.403 . . . . 1.0 109.668 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.565 ' H ' HD12 ' A' ' 83' ' ' LEU . 5.9 mp -63.22 -42.52 99.28 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.083 -0.508 . . . . 1.0 111.369 -179.22 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -60.67 -44.89 95.93 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.772 -0.371 . . . . 1.0 111.505 -177.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 80.1 tt0 -67.3 -37.79 83.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.339 0.59 . . . . 1.0 109.646 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.468 ' O ' ' CD2' ' A' ' 90' ' ' HIS . 41.2 mt -63.52 -42.87 98.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.575 -0.739 . . . . 1.0 112.314 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD22 HH12 ' A' ' 66' ' ' ARG . 3.4 pp -82.37 -11.07 58.8 Favored 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.099 -0.64 . . . . 1.0 110.432 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 74.8 m -62.67 -41.52 99.12 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.011 -0.676 . . . . 1.0 110.456 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -107.98 -28.24 9.69 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.866 -0.606 . . . . 1.0 112.606 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 86' ' ' LEU . 35.1 m-70 -80.28 -21.71 42.4 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.676 -0.41 . . . . 1.0 111.647 -179.105 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.401 ' OG ' ' O ' ' A' ' 93' ' ' SER . 27.2 t -61.95 122.54 15.73 Favored 'General case' 0 CA--C 1.505 -0.766 0 CA-C-O 122.053 0.93 . . . . 1.0 110.033 -178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.8 mt -98.64 2.84 47.63 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-N 113.664 -1.607 . . . . 1.0 110.363 179.16 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.401 ' O ' ' OG ' ' A' ' 91' ' ' SER . 27.3 p -148.76 160.88 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.447 -0.342 . . . . 1.0 110.441 -179.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.4 t -116.7 38.72 3.38 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 120.92 0.39 . . . . 1.0 111.346 -179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.559 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 5.8 p90 -142.08 163.31 33.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.815 -0.63 . . . . 1.0 109.791 179.053 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.594 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 149.2 54.71 0.02 OUTLIER Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.434 -1.066 . . . . 1.0 110.434 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.594 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 78.41 68.21 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.107 0.479 . . . . 1.0 110.332 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.446 ' O ' ' O ' ' A' ' 97' ' ' ALA . 73.7 mm-40 53.67 165.89 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.594 -0.73 . . . . 1.0 110.364 179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 65.3 t -122.6 127.49 75.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 120.974 0.416 . . . . 1.0 110.541 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.4 mptt -106.87 -46.0 4.05 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.547 -0.751 . . . . 1.0 109.685 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.472 ' CG ' ' O ' ' A' ' 101' ' ' HIS . 52.2 t-80 -78.41 48.49 0.77 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.259 -0.882 . . . . 1.0 110.323 179.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -53.31 111.29 0.67 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.169 0.509 . . . . 1.0 110.756 -179.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -150.32 2.1 0.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.522 -0.763 . . . . 1.0 110.182 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.532 ' C ' ' HD1' ' A' ' 104' ' ' HIS . 0.4 OUTLIER -59.69 -46.38 89.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.91 -0.587 . . . . 1.0 110.454 -179.458 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -113.01 138.33 50.04 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.412 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 24.0 p80 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.335 -0.841 . . . . 1.0 110.321 179.885 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.9 mtt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.454 -0.572 . . . . 1.0 109.454 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 49.2 mttm 48.93 62.29 12.48 Favored Pre-proline 0 C--N 1.328 -0.337 0 C-N-CA 120.852 -0.339 . . . . 1.0 110.755 179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 96.8 Cg_endo -78.11 -51.4 0.07 OUTLIER 'Trans proline' 0 C--N 1.305 -1.753 0 C-N-CA 122.431 2.088 . . . . 1.0 112.713 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.749 HD12 HD12 ' A' ' 29' ' ' LEU . 75.2 mt -104.35 3.21 32.17 Favored 'General case' 0 N--CA 1.468 0.469 0 N-CA-C 112.269 0.47 . . . . 1.0 112.269 -178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 71.2 m -70.98 -17.26 62.65 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.54 -0.464 . . . . 1.0 111.707 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . . . . . . . . . 97.8 m-20 -104.74 3.92 31.85 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 121.05 -0.26 . . . . 1.0 111.651 -178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 14.0 ptm -147.72 166.39 27.61 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 119.788 -0.765 . . . . 1.0 112.421 -177.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.474 ' O ' ' OG ' ' A' ' 41' ' ' SER . 13.9 mptt -101.39 175.45 5.57 Favored 'General case' 0 C--O 1.224 -0.261 0 CA-C-N 114.809 -1.087 . . . . 1.0 108.553 178.382 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 35.6 mm -140.75 152.06 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 109.945 -0.391 . . . . 1.0 109.945 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -130.49 140.66 50.51 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-O 120.922 0.392 . . . . 1.0 110.742 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 71.1 p -109.61 104.55 13.59 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 108.594 -0.891 . . . . 1.0 108.594 177.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.414 HD12 ' HA ' ' A' ' 12' ' ' LEU . 39.0 tp -63.27 -42.66 99.15 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.106 -0.497 . . . . 1.0 109.688 -179.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 14' ' ' LYS . . . 169.04 158.71 13.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.264 -0.735 . . . . 1.0 111.264 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.452 ' O ' ' O ' ' A' ' 13' ' ' GLY . 59.9 tttm 56.17 152.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.008 0.433 . . . . 1.0 111.065 179.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 27.7 tp -167.49 127.27 1.39 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.494 -0.483 . . . . 1.0 110.456 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.9 t -65.02 -43.32 92.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.072 0.463 . . . . 1.0 110.636 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.634 ' NE2' ' NE2' ' A' ' 74' ' ' GLN . 48.5 mt-30 -67.77 150.29 48.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.025 -0.534 . . . . 1.0 111.407 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -73.58 160.3 31.85 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 108.306 -0.998 . . . . 1.0 108.306 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.43 ' HG3' ' N ' ' A' ' 20' ' ' ASP . 19.4 ptmt -56.89 -47.07 81.36 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 119.629 -0.829 . . . . 1.0 111.079 -179.141 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.43 ' N ' ' HG3' ' A' ' 19' ' ' LYS . 46.6 t0 -65.06 -47.81 76.0 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.345 0.498 . . . . 1.0 112.345 -178.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -66.42 -43.82 84.64 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.453 -0.499 . . . . 1.0 111.217 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -63.14 -54.78 32.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.26 0.552 . . . . 1.0 111.068 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' NZ ' ' CB ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -62.18 -43.0 99.81 Favored 'General case' 0 N--CA 1.455 -0.216 0 CA-C-N 115.523 -0.762 . . . . 1.0 112.231 -178.08 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.417 ' N ' ' CG ' ' A' ' 23' ' ' LYS . . . -60.17 -49.8 76.21 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.432 -0.507 . . . . 1.0 111.176 -179.13 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 ptm -66.51 -39.62 88.76 Favored 'General case' 0 C--O 1.224 -0.237 0 C-N-CA 120.638 -0.425 . . . . 1.0 111.973 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.91 -44.22 99.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 C-N-CA 120.829 -0.349 . . . . 1.0 111.916 -179.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -76.79 -23.89 52.87 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 112.221 0.452 . . . . 1.0 112.221 179.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.14 -45.93 91.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.193 0.521 . . . . 1.0 109.64 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.749 HD12 HD12 ' A' ' 4' ' ' LEU . 31.0 mt -63.81 -40.29 96.29 Favored 'General case' 0 CA--C 1.515 -0.4 0 CA-C-O 122.38 1.086 . . . . 1.0 109.282 179.329 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.08 -1.57 5.82 Favored Glycine 0 N--CA 1.449 -0.474 0 N-CA-C 107.548 -2.221 . . . . 1.0 107.548 -177.087 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -59.08 152.52 32.59 Favored Glycine 0 C--N 1.34 0.765 0 N-CA-C 110.238 -1.145 . . . . 1.0 110.238 179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -141.16 150.44 42.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 1.0 110.644 -179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 89.9 mt -97.23 138.3 34.93 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.953 -0.567 . . . . 1.0 109.831 178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 7.9 t -135.49 161.17 36.22 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.008 -0.542 . . . . 1.0 110.446 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' SER . . . -87.18 -133.94 3.98 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.012 -1.235 . . . . 1.0 110.012 179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' GLY . 6.4 t 38.43 -146.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 110.311 -0.255 . . . . 1.0 110.311 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.01 -66.37 0.38 Allowed 'General case' 0 C--O 1.232 0.183 0 C-N-CA 121.026 -0.27 . . . . 1.0 110.301 179.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -62.58 -25.6 68.16 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.423 0.527 . . . . 1.0 112.423 -179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -58.66 -36.26 73.87 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.354 -0.61 . . . . 1.0 109.354 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -73.48 167.97 20.2 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.722 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.474 ' OG ' ' O ' ' A' ' 8' ' ' LYS . 30.0 p -102.1 -69.63 0.78 Allowed 'General case' 0 CA--C 1.516 -0.34 0 CA-C-O 121.312 0.577 . . . . 1.0 109.551 179.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 95.7 mt -113.89 119.45 37.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.199 -0.909 . . . . 1.0 110.756 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 9.0 t -84.16 138.44 33.0 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.016 -0.993 . . . . 1.0 110.599 179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.0 mm -86.69 111.84 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.11 -0.496 . . . . 1.0 110.533 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 43.9 t -164.62 147.74 8.86 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.652 178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.7 p -90.48 164.73 14.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.847 -0.615 . . . . 1.0 110.577 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.59 -39.9 89.81 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.56 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -55.82 -43.93 77.39 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.182 -0.607 . . . . 1.0 109.56 -179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 74.9 mt-10 -62.74 -40.39 97.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.378 0.609 . . . . 1.0 109.85 179.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 87.9 t -64.42 -43.28 96.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.663 -0.699 . . . . 1.0 110.317 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -56.98 -19.21 16.97 Favored 'General case' 0 CA--C 1.517 -0.303 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.782 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -63.49 -40.75 97.9 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.853 -0.795 . . . . 1.0 108.853 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . . . . . . . . . 15.8 mmt 52.45 48.0 23.51 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.116 -0.947 . . . . 1.0 110.112 -178.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 31.4 t -85.41 179.88 7.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.532 -0.758 . . . . 1.0 110.28 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -60.13 -41.57 92.97 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.922 -0.311 . . . . 1.0 110.254 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -59.46 -42.87 92.99 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.912 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -39.17 92.14 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.525 -0.546 . . . . 1.0 109.525 178.742 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.32 -36.82 76.35 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 115.399 -0.819 . . . . 1.0 109.997 -179.215 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -63.86 -42.12 97.63 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 121.206 0.527 . . . . 1.0 109.874 -179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 60.9 t -63.6 -44.62 98.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 108.576 -0.898 . . . . 1.0 108.576 179.088 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.9 tttm -62.2 -48.31 80.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.624 -1.171 . . . . 1.0 112.098 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.46 -15.95 60.88 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.082 0.468 . . . . 1.0 110.617 -179.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.83 -2.01 58.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.836 -0.62 . . . . 1.0 109.467 179.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.441 ' HB3' ' H ' ' A' ' 97' ' ' ALA . 7.1 m120 58.17 55.45 5.13 Favored 'General case' 0 N--CA 1.454 -0.241 0 CA-C-N 115.547 -0.752 . . . . 1.0 110.96 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.573 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 79.7 t -122.48 124.42 70.76 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 0 N-CA-C 108.987 -0.745 . . . . 1.0 108.987 178.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 56.2 ttm-85 -70.82 156.51 39.46 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 107.789 -1.189 . . . . 1.0 107.789 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.526 ' O ' ' O ' ' A' ' 91' ' ' SER . 41.6 t -108.64 131.44 59.24 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.8 0 N-CA-C 109.037 -0.727 . . . . 1.0 109.037 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.8 p -124.53 140.32 48.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.296 0.57 . . . . 1.0 111.309 -179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 1.1 p -67.78 153.73 43.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.344 -0.844 . . . . 1.0 110.464 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.413 ' HG2' ' NE2' ' A' ' 17' ' ' GLN . 77.1 tt0 -65.51 -33.59 76.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.068 -0.515 . . . . 1.0 111.898 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -59.27 -14.12 10.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.462 -0.57 . . . . 1.0 109.462 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.436 ' CE1' HG11 ' A' ' 76' ' ' VAL . 42.7 t80 -59.66 -42.53 93.06 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.462 -0.79 . . . . 1.0 111.112 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 96.7 mt -59.31 -42.18 90.77 Favored 'General case' 0 CA--C 1.516 -0.332 0 N-CA-C 109.032 -0.729 . . . . 1.0 109.032 -178.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.634 ' NE2' ' NE2' ' A' ' 17' ' ' GLN . 2.4 mp0 -72.26 -33.73 67.72 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.756 -0.656 . . . . 1.0 111.28 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 79' ' ' SER . 92.6 m-20 -64.36 -47.62 78.6 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.502 -0.317 . . . . 1.0 111.415 -179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.436 HG11 ' CE1' ' A' ' 72' ' ' PHE . 28.7 m -66.75 -39.27 83.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 119.569 -0.853 . . . . 1.0 109.511 179.377 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 11.8 t -61.55 -44.1 97.66 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.482 -0.781 . . . . 1.0 110.604 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -93.79 -67.18 0.87 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.119 -0.491 . . . . 1.0 111.253 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 75' ' ' ASP . 4.8 m -64.57 143.21 58.08 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.257 -179.251 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -118.82 27.5 8.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.195 -0.457 . . . . 1.0 111.583 -179.07 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -72.46 -164.01 0.14 Allowed 'General case' 0 CA--C 1.515 -0.367 0 CA-C-O 121.827 0.822 . . . . 1.0 110.65 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 29.3 t -77.77 145.07 36.66 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.979 -1.464 . . . . 1.0 110.519 179.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 5.9 mt -63.4 -43.53 97.3 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.616 -0.72 . . . . 1.0 111.194 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 92.4 mm-40 -66.2 -40.97 90.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.464 -0.789 . . . . 1.0 111.947 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -65.83 -32.88 74.65 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-O 120.899 0.38 . . . . 1.0 110.82 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 39.4 mt -62.47 -39.76 94.47 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.744 -0.382 . . . . 1.0 110.267 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' O ' ' OG ' ' A' ' 91' ' ' SER . 10.8 mt -62.94 -26.0 68.61 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.331 0.586 . . . . 1.0 109.766 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 27.0 m -51.01 -38.69 52.85 Favored 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.168 -0.923 . . . . 1.0 110.806 -176.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.06 10.8 17.53 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 116.181 -0.463 . . . . 1.0 111.229 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.423 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 46.1 m-70 -131.75 -4.42 3.65 Favored 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 120.998 -0.281 . . . . 1.0 111.738 -179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.615 ' O ' ' N ' ' A' ' 93' ' ' SER . 67.8 m -59.17 -40.17 84.8 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.465 -0.494 . . . . 1.0 111.404 -179.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 82.7 mt 46.21 4.56 0.0 OUTLIER 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.528 -0.305 . . . . 1.0 111.604 -178.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.615 ' N ' ' O ' ' A' ' 91' ' ' SER . 12.1 t -155.06 161.25 41.37 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.62 -0.264 . . . . 1.0 110.694 -178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 88.8 p -114.32 8.93 16.83 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.261 -0.427 . . . . 1.0 111.644 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.573 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 29.3 p90 -123.25 171.0 9.7 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.04 0.447 . . . . 1.0 111.218 -179.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.651 ' O ' ' HB3' ' A' ' 97' ' ' ALA . . . 143.21 64.7 0.02 OUTLIER Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.389 -1.084 . . . . 1.0 110.389 -179.354 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.651 ' HB3' ' O ' ' A' ' 96' ' ' GLY . . . 86.19 19.05 0.1 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.332 0.587 . . . . 1.0 110.174 -179.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -123.26 144.04 49.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.268 -0.878 . . . . 1.0 109.731 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 14.1 m -122.86 128.57 75.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.354 0 CA-C-O 121.722 0.772 . . . . 1.0 110.268 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -103.66 -10.24 18.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.978 -1.01 . . . . 1.0 111.459 -179.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -163.07 -71.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.626 -0.43 . . . . 1.0 110.992 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -158.41 -179.64 8.28 Favored 'General case' 0 C--N 1.332 -0.191 0 C-N-CA 120.521 -0.472 . . . . 1.0 111.936 -179.628 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 43.5 t-80 -103.16 -17.82 15.2 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.097 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -156.28 151.07 26.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.531 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -65.95 -43.73 87.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.087 0.47 . . . . 1.0 110.731 -179.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 10.2 m170 . . . . . 0 C--O 1.221 -0.414 0 CA-C-O 117.97 -1.014 . . . . 1.0 110.923 -179.132 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.2 mtt . . . . . 0 N--CA 1.491 1.581 0 N-CA-C 109.117 -0.698 . . . . 1.0 109.117 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.7 mtmt 48.15 64.9 7.81 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.288 179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 85.4 Cg_endo -82.59 -54.19 0.04 OUTLIER 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.684 2.256 . . . . 1.0 112.129 -179.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 29' ' ' LEU . 96.7 mt -103.01 -2.19 28.0 Favored 'General case' 0 N--CA 1.465 0.319 0 N-CA-C 112.313 0.486 . . . . 1.0 112.313 -179.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 6' ' ' ASN . 86.3 p -84.1 90.46 7.47 Favored 'General case' 0 CA--C 1.517 -0.295 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.665 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASN . . . . . 0.479 ' CB ' ' O ' ' A' ' 5' ' ' SER . 10.4 p30 147.85 -6.79 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 O-C-N 124.386 1.054 . . . . 1.0 109.021 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 23.9 ptm -134.27 151.16 51.13 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.14 -0.482 . . . . 1.0 111.909 -178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -93.51 155.1 17.52 Favored 'General case' 0 CA--C 1.535 0.375 0 N-CA-C 108.557 -0.905 . . . . 1.0 108.557 178.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.459 HD11 HD13 ' A' ' 4' ' ' LEU . 91.3 mt -128.5 153.81 38.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 N-CA-C 113.569 0.952 . . . . 1.0 113.569 -176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.414 ' N ' HG22 ' A' ' 9' ' ' ILE . 7.1 tt -133.73 150.42 51.49 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 114.312 -1.313 . . . . 1.0 110.28 179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.4 t -133.41 144.13 49.33 Favored 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 108.994 -0.743 . . . . 1.0 108.994 177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 HD11 ' HB3' ' A' ' 56' ' ' LYS . 15.9 tp -116.6 124.04 48.83 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.164 0.507 . . . . 1.0 112.025 -177.261 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.64 -130.53 45.96 Favored Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.516 -0.766 . . . . 1.0 113.808 177.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -60.6 137.32 58.19 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 114.372 -0.914 . . . . 1.0 113.226 -177.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.6 tp -124.45 128.59 49.24 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 114.604 -1.18 . . . . 1.0 109.468 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.3 m -61.48 -43.62 98.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.132 0.492 . . . . 1.0 110.339 179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.437 HE22 HD12 ' A' ' 73' ' ' LEU . 28.0 mt-30 -73.0 148.75 43.89 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.657 -0.701 . . . . 1.0 110.806 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 13.4 m-80 -78.99 -161.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.763 -0.653 . . . . 1.0 110.671 -179.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 76.2 tttt -69.73 -71.44 0.23 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.648 -0.705 . . . . 1.0 111.606 179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -60.65 -43.61 97.4 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.061 -0.518 . . . . 1.0 111.998 -176.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.81 -38.69 92.03 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.762 -0.375 . . . . 1.0 111.836 -179.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -70.39 -65.59 0.71 Allowed 'General case' 0 C--N 1.326 -0.424 0 C-N-CA 119.876 -0.73 . . . . 1.0 111.464 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -59.17 -40.32 85.26 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 112.468 0.544 . . . . 1.0 112.468 -177.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -63.82 -43.53 95.97 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 119.833 -0.747 . . . . 1.0 112.067 -178.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.4 ptm -72.0 -38.64 69.6 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 120.035 -0.666 . . . . 1.0 111.94 -179.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.87 -44.85 99.44 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 119.989 -0.684 . . . . 1.0 109.746 178.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -72.29 -23.06 61.13 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.655 -0.418 . . . . 1.0 111.521 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -60.59 -48.48 81.57 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.354 0.597 . . . . 1.0 109.452 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 1.0 HD12 HD12 ' A' ' 4' ' ' LEU . 41.0 mt -65.13 -41.43 94.84 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-O 122.147 0.975 . . . . 1.0 109.73 179.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 130.8 -5.5 5.79 Favored Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 108.293 -1.923 . . . . 1.0 108.293 -177.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -62.77 151.6 46.89 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.656 -0.977 . . . . 1.0 110.656 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.0 mtpt -135.11 155.67 50.31 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.954 0.407 . . . . 1.0 110.752 -179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.0 mt -102.8 127.88 49.78 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.882 -0.599 . . . . 1.0 111.799 -177.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 14.7 p -88.98 166.51 13.86 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.493 178.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -112.15 13.88 26.13 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 32.2 p -151.43 163.43 39.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 120.788 0.328 . . . . 1.0 110.525 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.574 ' C ' ' H ' ' A' ' 39' ' ' LYS . . . -80.75 161.61 24.47 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.518 0.675 . . . . 1.0 112.204 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.516 ' ND2' ' O ' ' A' ' 63' ' ' ALA . 11.3 t-20 62.34 -22.89 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.687 -1.142 . . . . 1.0 112.247 -179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.574 ' H ' ' C ' ' A' ' 37' ' ' ALA . 32.1 tptt -62.32 -35.88 80.45 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.41 -0.959 . . . . 1.0 108.41 178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -84.3 -173.72 4.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.087 -0.96 . . . . 1.0 110.133 179.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.637 ' C ' HD12 ' A' ' 42' ' ' LEU . 3.3 p -120.2 -47.63 2.36 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 121.04 -0.264 . . . . 1.0 110.677 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.725 HD23 HG11 ' A' ' 68' ' ' VAL . 11.0 mp -118.11 124.21 47.48 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.49 0.662 . . . . 1.0 110.812 179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 6.5 t -89.58 137.23 32.51 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.761 -1.109 . . . . 1.0 110.055 179.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.0 mm -91.7 108.78 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 CA-C-O 121.306 0.574 . . . . 1.0 110.812 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.8 m -161.9 156.49 22.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.374 -0.83 . . . . 1.0 110.038 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.468 ' CG2' ' OE1' ' A' ' 70' ' ' GLU . 55.2 p -112.24 167.74 10.17 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 110.015 -0.365 . . . . 1.0 110.015 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 50' ' ' VAL . 14.5 mmtt -50.74 -47.72 59.24 Favored 'General case' 0 C--O 1.219 -0.503 0 C-N-CA 120.295 -0.562 . . . . 1.0 110.046 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' C ' ' O ' ' A' ' 47' ' ' LYS . 25.4 mtpp -38.85 -43.51 0.95 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 123.232 0.333 . . . . 1.0 110.35 -179.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -71.3 -43.63 66.75 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 120.847 -0.341 . . . . 1.0 110.119 178.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.721 ' O ' ' SD ' ' A' ' 53' ' ' MET . 5.5 t -67.96 -20.41 25.88 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.622 0 CA-C-N 116.03 -0.532 . . . . 1.0 111.353 -179.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 75.2 mt-10 -66.69 -38.92 87.76 Favored 'General case' 0 C--N 1.314 -0.958 0 O-C-N 120.854 -1.154 . . . . 1.0 108.573 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 30.8 mttm -71.14 -44.4 65.63 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.747 -1.115 . . . . 1.0 112.685 -178.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' MET . . . . . 0.721 ' SD ' ' O ' ' A' ' 50' ' ' VAL . 11.4 mmm 52.23 59.17 4.71 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 108.9 -0.778 . . . . 1.0 108.9 -176.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 60.8 m -80.26 -174.06 4.35 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.596 -1.183 . . . . 1.0 110.82 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -60.45 -37.97 82.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.942 -0.572 . . . . 1.0 109.986 179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.478 ' HB3' HD11 ' A' ' 12' ' ' LEU . 75.2 mmtt -61.03 -40.17 92.56 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.848 -0.427 . . . . 1.0 109.848 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.3 tmm? -64.21 -39.95 95.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.187 0.518 . . . . 1.0 110.389 179.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 92.8 mt-10 -56.63 -33.6 66.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.806 -0.634 . . . . 1.0 109.91 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 63' ' ' ALA . 18.6 mm-40 -64.36 -45.79 86.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.531 -0.544 . . . . 1.0 109.531 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 52.9 t -63.55 -46.34 95.25 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 115.595 -0.73 . . . . 1.0 110.194 179.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.4 tttp -62.29 -44.27 96.91 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.298 -0.865 . . . . 1.0 111.653 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -83.24 2.58 35.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.341 -0.39 . . . . 1.0 110.713 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.516 ' O ' ' ND2' ' A' ' 38' ' ' ASN . . . -105.82 -10.53 16.64 Favored 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.79 0.329 . . . . 1.0 110.152 179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.5 ' CG ' ' H ' ' A' ' 97' ' ' ALA . 3.0 t-20 62.35 59.78 1.51 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.892 -0.594 . . . . 1.0 111.743 179.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.532 ' O ' ' NE1' ' A' ' 95' ' ' TRP . 81.0 t -127.68 126.9 67.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 N-CA-C 109.506 -0.553 . . . . 1.0 109.506 179.014 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.535 HH21 HD11 ' A' ' 42' ' ' LEU . 46.7 ttp180 -65.99 145.21 56.15 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.437 -0.579 . . . . 1.0 109.437 179.106 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.5 t -106.57 132.45 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.065 -0.516 . . . . 1.0 111.405 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.725 HG11 HD23 ' A' ' 42' ' ' LEU . 26.9 m -130.54 156.88 42.84 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 115.709 -0.678 . . . . 1.0 109.919 179.364 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.25 160.16 18.55 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.769 -0.651 . . . . 1.0 111.454 -179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.468 ' OE1' ' CG2' ' A' ' 46' ' ' THR . 54.9 mp0 -63.46 -35.62 81.06 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-N 115.984 -0.553 . . . . 1.0 111.57 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 63.0 m-20 -62.79 -12.47 24.53 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.542 -0.54 . . . . 1.0 109.542 -178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 33.3 t80 -60.94 -44.35 97.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.397 -0.82 . . . . 1.0 109.225 177.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 4' ' ' LEU . 94.7 mt -61.4 -41.0 96.43 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.224 -0.898 . . . . 1.0 109.324 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -65.15 -39.39 92.92 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.534 -0.757 . . . . 1.0 109.811 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.555 ' OD2' ' NE2' ' A' ' 90' ' ' HIS . 88.9 m-20 -62.33 -50.19 72.6 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.47 -0.787 . . . . 1.0 112.453 -178.644 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 19.9 m -66.73 -37.68 80.0 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.377 0 C-N-CA 119.748 -0.781 . . . . 1.0 109.726 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 58.0 m -60.16 -40.07 88.61 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.073 -0.967 . . . . 1.0 111.122 -179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -109.3 -60.02 1.82 Allowed 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 112.15 0.426 . . . . 1.0 112.15 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.472 ' N ' ' O ' ' A' ' 75' ' ' ASP . 5.8 p -60.42 -43.83 96.37 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 121.004 -0.279 . . . . 1.0 111.682 -177.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . 49.53 34.11 6.54 Favored 'General case' 0 CA--C 1.534 0.328 0 N-CA-C 112.281 0.475 . . . . 1.0 112.281 178.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 50.5 mtmt -78.5 -168.78 1.46 Allowed 'General case' 0 CA--C 1.515 -0.372 0 CA-C-O 121.661 0.743 . . . . 1.0 111.381 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 66.6 m -63.34 142.05 58.54 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.596 -1.184 . . . . 1.0 109.674 179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.405 ' H ' HD12 ' A' ' 83' ' ' LEU . 4.5 mp -63.28 -42.92 99.14 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.469 -0.493 . . . . 1.0 111.355 -179.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -64.99 -40.09 94.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.546 -0.297 . . . . 1.0 111.052 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' O ' ' OG ' ' A' ' 88' ' ' SER . 83.0 tt0 -63.34 -35.92 81.99 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.618 -179.541 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.5 mt -62.85 -40.26 96.92 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.536 -0.466 . . . . 1.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 91' ' ' SER . 7.4 mt -63.93 -29.24 70.43 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.469 -0.937 . . . . 1.0 108.469 -179.072 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 85' ' ' GLU . 24.6 p -57.98 -35.67 71.52 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.822 -1.081 . . . . 1.0 111.098 -176.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.28 -0.06 15.58 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.013 -0.54 . . . . 1.0 111.275 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.555 ' NE2' ' OD2' ' A' ' 75' ' ' ASP . 56.4 m-70 -129.94 4.56 4.92 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 112.446 0.536 . . . . 1.0 112.446 -178.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 87' ' ' LEU . 10.7 p -75.57 99.4 4.26 Favored 'General case' 0 CA--C 1.511 -0.547 0 CA-C-O 121.518 0.675 . . . . 1.0 110.526 -179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 86.9 mt -87.09 -11.33 50.49 Favored 'General case' 0 C--N 1.312 -1.049 0 CA-C-N 114.817 -1.083 . . . . 1.0 110.004 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m -148.68 155.51 41.13 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.839 -179.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.3 p -106.69 -0.69 23.44 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 116.308 -0.406 . . . . 1.0 111.225 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TRP . . . . . 0.532 ' NE1' ' O ' ' A' ' 65' ' ' VAL . 6.8 p90 -101.44 168.45 9.51 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.707 -0.224 . . . . 1.0 110.824 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 134.88 59.06 0.07 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.36 -0.696 . . . . 1.0 111.36 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.5 ' H ' ' CG ' ' A' ' 64' ' ' ASN . . . 44.69 56.88 4.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.72 0.295 . . . . 1.0 111.649 179.283 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -51.76 150.77 3.77 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.826 -0.435 . . . . 1.0 109.826 178.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 3.6 m -54.34 88.25 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 N-CA-C 113.464 0.913 . . . . 1.0 113.464 -177.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 99.8 mttt -129.5 -3.49 4.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.593 -0.731 . . . . 1.0 109.907 178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -65.9 -50.38 64.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.734 -0.666 . . . . 1.0 111.476 -178.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . 0.512 ' N ' ' CD2' ' A' ' 102' ' ' HIS . 0.2 OUTLIER 170.34 163.05 0.07 Allowed 'General case' 0 N--CA 1.465 0.286 0 O-C-N 123.334 0.396 . . . . 1.0 110.447 -179.488 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -82.16 -46.14 14.18 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.116 -0.698 . . . . 1.0 109.116 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.2 p80 -163.64 157.71 19.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.435 -0.802 . . . . 1.0 110.378 178.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -80.49 140.29 35.98 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.887 0.375 . . . . 1.0 110.357 179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 118.045 -0.979 . . . . 1.0 110.834 -179.222 . . . . . . . . 0 0 . 1 stop_ save_