data_2rrf_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 2rrf _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.729 0.299 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' VAL . 29.8 mm-40 -89.43 -36.7 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -40.29 -40.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 25.3 pttt -70.79 -38.55 73.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' GLN . 49.4 t -68.87 -37.72 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 31.3 mt -67.37 -54.29 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' SER . 58.3 mt -54.42 -50.89 66.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t -34.51 -46.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.86 122.18 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -114.12 153.1 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.15 139.43 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 70.9 m-85 -149.86 -179.49 7.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.9 mt -108.62 110.49 21.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.97 132.46 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.5 m -124.84 117.95 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -86.08 146.05 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.9 -39.36 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -76.5 -43.13 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.822 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -79.63 124.13 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -89.55 -18.05 27.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -101.16 138.6 20.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 139.6 40.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -120.2 137.01 54.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.5 m -68.11 112.28 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.2 mtp -128.41 171.8 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -117.31 130.01 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.0 m -116.73 125.79 52.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -146.39 167.96 22.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.07 164.14 11.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 t -81.42 177.27 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -51.35 -44.13 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' GLN . 12.0 m-80 -103.37 29.11 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 34.42 39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -108.31 -1.9 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -153.07 146.99 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -102.32 139.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -120.05 155.24 33.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.2 mt -135.82 143.26 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.0 136.41 44.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.44 -132.7 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.32 -25.87 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -155.94 172.46 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -85.79 112.04 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.404 ' C ' ' HG3' ' A' ' 57' ' ' GLU . 6.7 m-85 -124.74 147.69 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 26.7 mt-10 -149.17 126.14 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 89' ' ' TYR . 56.9 mt -108.85 101.35 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.34 125.83 25.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.9 mt -65.23 -20.82 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.52 -26.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -89.36 -36.57 15.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG23 ' CG2' ' A' ' 66' ' ' VAL . 71.7 mt -49.73 132.52 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 t -101.58 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.3 m -107.82 149.83 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 63' ' ' ILE . 43.1 t -150.86 105.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.07 159.06 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.3 mt -101.83 134.63 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.37 113.04 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.871 0.367 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.5 p -106.79 -26.51 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.58 -177.13 14.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.461 ' CE ' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -150.17 150.38 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.783 0.325 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -135.06 122.26 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.461 HD22 ' CE ' ' A' ' 85' ' ' MET . 0.9 OUTLIER -131.7 139.55 49.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -117.4 140.41 49.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.453 ' CE2' HD12 ' A' ' 58' ' ' ILE . 39.6 p90 -163.33 156.59 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -117.41 145.74 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 98.7 t -110.85 138.88 21.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.77 114.76 3.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.74 -45.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -80.93 -179.62 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.94 118.9 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.3 -158.72 14.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.6 t -125.63 145.44 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.1 m -114.25 129.38 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -112.17 148.56 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tp -125.59 132.15 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -111.82 140.57 46.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 mt -130.37 120.05 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 m -119.54 162.16 19.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.55 122.5 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.6 mmt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -59.02 -54.61 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -67.54 -48.24 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.57 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.81 -31.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.76 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.538 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 21.4 t90 -67.11 -51.84 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.2 mt -46.44 -63.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.8 p -52.79 -47.22 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -52.7 -48.93 66.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -53.18 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -48.08 -51.73 23.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -44.1 -53.47 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.19 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.574 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -54.34 -19.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.46 -50.44 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.8 -29.34 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.5 mt -59.13 -34.26 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mttt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.741 0.305 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -74.44 -19.62 60.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.56 -68.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -38.67 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.39 -49.74 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 85.9 mt -57.48 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -46.04 -52.19 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -39.6 -35.05 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.5 131.42 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.52 179.55 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 8.5 m -105.59 140.9 37.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 23' ' ' THR . 44.0 m-85 -150.54 163.84 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -94.7 115.28 27.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 102' ' ' LEU . 62.1 t -101.25 126.82 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 m -118.39 108.11 14.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' SER . 80.2 m-85 -83.33 135.25 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.94 -37.62 0.1 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -71.41 -44.98 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' PHE . 9.6 m -87.47 121.84 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -84.69 -7.87 59.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -111.11 138.18 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 144.48 53.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.258 . . . . 0.0 112.295 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -122.69 146.86 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -79.9 108.67 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mtp -130.07 162.44 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -107.91 145.68 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.2 t -131.76 138.34 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -155.63 166.35 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 48' ' ' LEU . 5.2 mt -104.81 161.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -74.37 173.97 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -54.73 -35.56 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -105.99 12.14 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 47.89 52.56 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 9.3 mmt85 -118.48 -2.48 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' O ' ' A' ' 46' ' ' ARG . 76.7 m-85 -156.2 147.54 22.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.429 ' CD2' ' HG ' ' A' ' 41' ' ' LEU . 59.2 mt -110.03 143.67 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.15 151.05 51.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.93 158.05 25.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.91 139.84 45.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 147.97 -139.07 7.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' GLY . 2.2 m-20 -35.51 -37.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -153.27 172.08 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -97.46 90.74 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -98.85 159.83 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -144.36 123.19 12.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.23 100.53 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 1.3 pm0 -72.24 125.14 26.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.92 -31.1 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.415 ' CG2' ' HB2' ' A' ' 59' ' ' GLU . 4.2 m -55.42 -27.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -90.8 -46.59 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mt -38.72 136.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -112.99 -56.64 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.4 m -106.17 140.76 38.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -142.37 105.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -135.65 145.51 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 69' ' ' LEU . 56.1 mt -86.28 141.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 68' ' ' ILE . 78.7 mt -88.95 105.21 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.3 p -109.84 17.56 21.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.74 179.26 42.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 16.8 ttm -145.33 148.29 33.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 3.7 t80 -126.87 130.32 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.8 mt -143.28 139.56 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -118.86 143.83 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -153.23 162.76 40.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -113.3 131.38 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 31.1 t -85.96 137.06 35.67 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.77 84.89 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.22 11.82 2.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.414 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 3.0 t -118.94 167.92 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -110.15 113.75 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.81 -164.52 12.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.47 141.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.9 m -101.46 132.01 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 10.9 pt20 -108.62 139.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 tp -118.73 143.16 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.26 131.97 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 26' ' ' VAL . 43.8 mt -124.67 141.44 52.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.2 m -137.29 158.54 44.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.2 t -89.55 136.4 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -56.94 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -45.49 -59.9 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.03 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 75.2 t -44.6 -33.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -43.71 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 52.3 t90 -62.65 -39.96 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.25 -51.96 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.65 -33.21 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.03 -30.04 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.6 tpt -76.66 -46.62 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.26 -49.53 71.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.01 -36.23 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.05 -27.5 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.67 -46.15 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.09 -34.04 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -35.8 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.07 -47.05 78.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.789 0.328 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.5 -31.51 35.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -54.06 -58.92 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 8.4 pttm -64.32 -39.05 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 93.2 t -59.65 -41.29 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.2 mt -67.31 -58.98 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' SER . 26.2 mt -54.43 -47.61 72.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t -34.51 -48.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.37 124.16 2.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' ' CE2' ' A' ' 24' ' ' PHE . . . -120.61 157.16 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.433 ' CG2' HG23 ' A' ' 36' ' ' THR . 28.5 m -87.89 146.62 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CE2' ' HB1' ' A' ' 22' ' ' ALA . 71.7 m-85 -155.96 157.73 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -84.51 116.51 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.5 t -102.24 122.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 m -102.91 120.17 40.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -97.36 129.93 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.68 -35.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.94 -46.47 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -92.4 133.88 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -76.75 -28.42 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -106.15 134.45 19.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 168.48 21.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -132.43 149.6 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.433 HG23 ' CG2' ' A' ' 23' ' ' THR . 23.3 m -67.0 106.35 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mtp -131.43 147.23 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.3 m -97.32 132.46 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.16 126.98 54.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -141.09 167.17 22.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mt -103.0 167.76 9.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -85.19 175.86 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -46.33 -55.87 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -94.46 18.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 47.94 48.56 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -113.26 -8.09 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.78 147.12 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.1 mt -104.51 138.2 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -121.21 141.38 50.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 mt -123.3 138.45 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.43 144.17 46.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.58 -138.45 8.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.6 -37.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.803 0.335 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.75 158.82 37.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.492 ' CD2' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -85.68 96.02 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -99.03 159.13 15.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -147.59 113.51 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 89' ' ' TYR . 24.5 mt -99.98 99.96 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -63.58 110.37 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.8 mt -49.53 -34.76 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 62' ' ' HIS . 29.3 m -56.68 -29.81 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.433 ' N ' HG21 ' A' ' 61' ' ' VAL . 23.7 m-70 -82.81 -39.18 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.467 HG22 ' CG2' ' A' ' 66' ' ' VAL . 63.8 mt -49.35 132.67 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -102.82 -59.67 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.1 m -103.97 138.51 40.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 63' ' ' ILE . 83.9 t -134.98 101.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -129.26 160.43 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 93.1 mt -110.37 137.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 17.9 mt -91.8 139.05 31.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 t -98.95 -28.28 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.18 -158.21 8.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.2 ttm -166.47 150.56 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -135.79 104.99 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.439 ' CD2' HG13 ' A' ' 66' ' ' VAL . 7.6 mt -108.73 150.46 27.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -127.77 132.23 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.467 ' CD2' HG23 ' A' ' 58' ' ' ILE . 24.6 p90 -152.24 159.94 43.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.9 p -104.82 148.8 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 97.8 t -108.4 139.14 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.74 116.82 4.73 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.92 -47.56 1.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 95' ' ' GLU . 99.8 m -68.2 136.62 53.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.429 ' N ' HG21 ' A' ' 94' ' ' THR . 16.4 mm-40 -87.22 120.94 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 173.0 17.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 98' ' ' THR . 85.8 t -109.08 138.9 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.458 ' N ' HG11 ' A' ' 97' ' ' VAL . 89.3 m -104.42 140.98 37.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -112.85 158.86 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.2 tp -128.27 114.29 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.46 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 38.1 tttt -104.64 114.84 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.69 136.89 44.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.8 m -144.03 126.45 15.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.74 132.84 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -45.58 -46.36 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 114' ' ' GLN . 1.5 tm0? -61.91 -71.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.42 -59.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.8 t -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.86 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.438 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 56.5 t90 -68.46 -53.33 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.4 mt -44.48 -58.69 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.25 -42.78 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.89 -59.63 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.424 ' N ' HD22 ' A' ' 18' ' ' LEU . 9.5 tpt -40.67 -54.71 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -60.19 -57.09 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -39.43 -58.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.05 80.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.86 -27.53 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -66.23 -58.49 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.0 mt -42.25 -46.02 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mt -39.91 -59.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.751 0.31 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.36 -37.99 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.13 -51.9 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -54.55 -37.4 65.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.77 -43.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 41' ' ' LEU . 16.4 mt -62.99 -58.8 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -39.53 -59.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -40.32 -45.79 2.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.56 146.46 12.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB1' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.46 178.5 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -102.75 147.47 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 26.9 m-85 -156.09 171.0 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.1 mt -107.47 118.5 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -102.34 136.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.0 m -123.76 111.78 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.77 143.94 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.48 -40.44 2.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -74.78 -40.8 60.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m -84.0 120.11 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -86.35 -13.73 45.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -109.83 136.1 20.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.36 56.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -123.02 146.11 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.3 m -73.04 111.96 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mtp -134.19 147.83 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.6 m -93.06 140.69 29.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -125.71 124.24 40.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -144.77 166.79 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 18' ' ' LEU . 5.6 mt -103.25 167.85 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 p -80.6 178.01 8.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -52.54 -42.36 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -102.16 3.3 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 64.93 30.55 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -99.14 -2.42 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -146.01 161.88 39.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.4 mt -123.2 131.84 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -115.24 150.82 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.2 150.72 52.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -133.6 137.45 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.98 -131.34 2.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -38.53 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -151.67 178.75 9.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 15.7 p80 -83.27 115.61 22.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -122.62 145.09 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -147.63 112.74 5.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.556 HD11 ' CE2' ' A' ' 89' ' ' TYR . 55.4 mt -107.98 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.7 153.91 38.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 mt -82.84 -15.2 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.88 -47.22 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.471 ' O ' ' C ' ' A' ' 63' ' ' ILE . 50.7 m-70 -64.65 -56.45 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 62' ' ' HIS . 2.2 mt -32.11 147.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.5 t -124.01 -38.61 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -126.18 142.24 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.1 t -141.08 111.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.72 139.3 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.4 mt -89.78 120.87 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.943 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.905 0.383 . . . . 0.0 111.099 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 p -122.37 30.92 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 153.92 -168.75 32.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 tpt -153.39 146.35 24.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -129.16 111.33 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 mt -118.71 141.72 48.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -121.35 132.91 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.556 ' CE2' HD11 ' A' ' 58' ' ' ILE . 13.2 p90 -152.76 147.58 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.7 p -101.6 148.88 24.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.31 136.76 20.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 121.48 8.18 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.22 -47.1 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -83.49 167.16 17.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 111.148 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -114.59 111.0 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.31 -172.06 22.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.35 137.22 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.7 m -104.37 147.36 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.53 145.44 50.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tp -123.13 122.37 38.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -103.17 141.91 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.454 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 62.9 mt -127.35 141.22 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.6 m -142.56 144.06 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.5 t -67.76 131.18 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 113' ' ' ARG . 12.0 tpp85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -36.99 -58.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 114' ' ' GLN . 0.7 OUTLIER -47.86 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.65 -53.88 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.6 t -51.97 -44.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.16 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 26.2 t90 -59.45 -33.9 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.26 -58.7 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.87 -46.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.412 ' C ' HD13 ' A' ' 18' ' ' LEU . . . -54.87 -49.26 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 122' ' ' MET . 0.8 OUTLIER -51.3 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -48.35 -53.65 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.38 -60.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.21 83.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -49.52 -31.52 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.94 -38.46 88.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.47 -36.57 81.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.4 mt -54.41 -49.24 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 130' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.8 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.733 0.302 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' CD ' ' N ' ' A' ' 14' ' ' GLN . 1.7 mp0 -78.41 -39.61 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -67.0 -42.14 85.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' HD11 ' A' ' 15' ' ' LEU . 13.7 pttp -66.56 -34.84 78.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 t -76.92 -40.4 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 16.3 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' SER . 83.5 mt -62.21 -55.51 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' LEU . 3.3 t -37.13 -43.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.63 131.69 5.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.82 150.64 41.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 23.5 m -78.98 146.11 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' THR . 77.7 m-85 -158.88 155.54 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.05 122.38 33.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.61 131.66 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 m -122.4 105.44 10.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 56' ' ' TYR . 96.9 m-85 -77.53 163.44 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.33 -29.61 63.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -84.68 -37.04 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 122.35 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.05 -29.18 23.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -93.62 138.47 22.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 140.48 42.81 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -120.42 139.75 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -69.47 107.19 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.31 165.36 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 m -112.01 136.1 51.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.6 t -121.84 123.24 41.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -140.89 164.99 28.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.67 166.11 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -76.64 177.93 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -45.9 -57.51 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -97.27 16.45 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 55.27 45.48 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -93.37 -13.91 27.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -153.37 170.05 21.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -117.89 147.14 43.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.4 161.31 28.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -142.31 142.28 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -121.67 133.19 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.19 -137.11 4.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.3 -41.77 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -151.64 166.03 32.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -68.78 95.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.53 ' CE2' ' CZ ' ' A' ' 28' ' ' PHE . 7.4 m-85 -99.38 145.99 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -147.09 129.66 15.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.49 HG21 ' CD2' ' A' ' 89' ' ' TYR . 58.0 mt -116.22 101.53 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.76 122.03 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.08 -37.13 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 62' ' ' HIS . 27.5 m -56.56 -22.58 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.415 ' N ' HG22 ' A' ' 61' ' ' VAL . 4.9 m-70 -92.61 -39.19 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 66' ' ' VAL . 69.6 mt -44.07 124.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -98.47 -51.71 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.3 m -104.5 148.45 26.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 63' ' ' ILE . 76.8 t -150.78 105.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -138.46 159.51 41.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.5 mt -100.96 145.93 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 86' ' ' PHE . 79.8 mt -104.09 134.13 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' A' ' 83' ' ' THR . 72.2 m -121.74 40.0 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 164.45 173.22 32.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.3 ttt -153.9 132.24 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.469 ' HB2' ' CG ' ' A' ' 69' ' ' LEU . 8.8 t80 -118.89 116.76 27.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.02 167.61 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -144.14 146.27 32.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.49 ' CD2' HG21 ' A' ' 58' ' ' ILE . 14.4 p90 -149.64 152.59 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.4 p -103.17 130.5 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.2 t -112.0 126.17 28.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.743 2.295 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.96 7.55 31.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.5 t -138.19 178.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.3 109.04 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.77 -151.88 17.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.438 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.7 t -122.98 148.85 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.1 m -118.7 142.51 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.38 169.03 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 tp -139.63 130.15 25.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.452 ' CD ' HD12 ' A' ' 69' ' ' LEU . 3.7 tppt? -112.26 119.28 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.7 mt -114.07 136.31 53.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.4 m -143.93 144.12 31.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.46 125.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.853 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.424 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 114' ' ' GLN . 7.8 ptt-85 -51.93 -48.04 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 17.6 tp60 -59.22 -64.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.14 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -40.3 -41.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.07 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.51 ' O ' ' CE3' ' A' ' 118' ' ' TRP . 10.6 t90 -54.51 -32.89 58.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.09 -60.61 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.95 70.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.2 tpt -58.47 -47.72 83.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -58.28 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -39.03 -63.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -59.81 -50.86 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.594 ' O ' ' CE1' ' A' ' 130' ' ' TYR . . . -36.99 -46.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -53.31 -44.84 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ALA . 34.3 mt -55.21 -49.42 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 126' ' ' ALA . 10.3 mt -40.0 -61.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 1.5 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.728 0.299 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.1 -36.98 85.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -51.63 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -41.96 -43.38 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.42 -53.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 34.6 mt -58.11 -57.65 11.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -50.91 -52.41 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -43.77 -43.54 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.39 137.69 5.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.521 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -129.04 138.41 51.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 m -70.32 138.61 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 22' ' ' ALA . 99.5 m-85 -145.89 153.11 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 105' ' ' VAL . 17.8 mt -87.32 103.79 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.466 HG21 ' CD2' ' A' ' 102' ' ' LEU . 46.9 t -93.82 134.27 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 31' ' ' SER . 2.5 m -111.42 95.85 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -53.05 -178.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 122.39 6.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.36 36.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 27' ' ' THR . 13.2 t -121.87 90.97 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -58.46 -14.97 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -110.91 131.22 22.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.539 0.685 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.86 64.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -122.21 144.89 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -87.63 112.25 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.9 mtp -141.66 148.67 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 m -94.61 121.3 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.28 109.34 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -127.14 166.33 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.57 152.5 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -69.55 175.34 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -50.48 -42.45 54.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -103.19 20.3 17.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 40.57 44.62 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -104.51 -18.26 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -144.28 152.58 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.25 155.3 20.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.67 148.43 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.7 mt -116.52 150.62 37.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -142.39 116.51 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.22 -124.34 1.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -44.55 -47.32 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -147.45 150.17 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -62.21 100.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -116.83 163.51 16.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -156.55 132.48 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.3 mt -113.29 100.03 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -73.03 127.2 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.0 -20.95 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.05 -31.01 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.2 m-70 -89.25 -51.97 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 62' ' ' HIS . 16.0 mt -33.83 140.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 t -118.24 -60.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.405 ' C ' HG21 ' A' ' 66' ' ' VAL . 84.8 m -104.37 136.08 44.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.405 HG21 ' C ' ' A' ' 65' ' ' THR . 91.1 t -141.0 106.2 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -134.57 157.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 69' ' ' LEU . 82.7 mt -94.48 135.89 27.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.481 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 60.4 mt -78.81 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.832 0.349 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.1 t -104.72 24.2 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 166.01 169.61 29.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -144.69 155.7 43.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 8.5 t80 -132.92 133.38 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mt -140.11 120.16 13.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -105.35 141.07 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -152.44 142.02 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.1 p -94.19 136.2 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.189 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.3 t -107.18 135.25 19.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.8 37.5 2.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.3 m -155.77 157.01 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -102.16 110.38 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.44 -176.73 19.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 98' ' ' THR . 72.0 t -104.94 143.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 99' ' ' GLN . 61.1 m -107.35 142.12 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.451 ' N ' HG23 ' A' ' 98' ' ' THR . 10.0 mt-30 -112.9 157.22 21.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -136.43 117.32 14.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HD2' ' CD1' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.29 142.96 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD2' HG21 ' A' ' 26' ' ' VAL . 58.7 mt -130.85 139.57 50.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.9 m -142.92 140.76 31.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.413 HG12 ' CG ' ' A' ' 112' ' ' ARG . 89.0 t -69.47 133.03 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 27.1 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 113' ' ' ARG . 2.9 ttm-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 112' ' ' ARG . 24.2 mtp180 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -44.85 -62.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 118' ' ' TRP . . . -57.56 -61.95 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.1 t -39.36 -43.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.45 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 39.8 t90 -63.69 -44.98 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 24' ' ' PHE . 13.2 mt -61.0 -52.65 64.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 121' ' ' ALA . 8.1 p -62.06 -41.21 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 120' ' ' VAL . . . -64.59 -40.46 95.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 126' ' ' ALA . 10.6 tpt -58.01 -46.09 85.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -61.64 -62.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -51.04 -55.0 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.05 -30.41 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 122' ' ' MET . . . -71.78 -34.93 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -56.9 -59.98 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.5 mt -41.61 -47.97 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.86 -61.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.723 0.297 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -58.58 -34.1 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.21 -62.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -53.34 -33.28 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.2 t -75.99 -45.91 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.541 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 13.6 mt -61.42 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 mt -41.5 -47.76 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -43.46 -50.63 6.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.06 137.9 8.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.51 -176.43 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -110.5 143.06 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 9.8 m-85 -147.95 178.63 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HG ' ' CG2' ' A' ' 105' ' ' VAL . 62.9 mt -112.2 108.97 18.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.18 132.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -118.1 129.63 55.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.63 146.6 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.75 -35.15 3.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -82.55 -37.73 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -87.82 100.46 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -13.36 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -109.74 138.18 20.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.51 68.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' A' ' 53' ' ' ASP . 42.7 tt0 -129.88 143.24 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 m -67.57 108.22 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mtt -121.3 172.5 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.7 m -120.57 136.42 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . 57.6 m -125.83 130.5 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.4 ptt85 -155.29 167.86 28.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.95 169.78 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.5 p -92.84 178.12 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -48.1 -46.95 34.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 45' ' ' GLN . 4.4 m120 -99.47 24.78 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER 31.29 39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ASN . 44.5 mtp180 -107.57 -2.99 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.458 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 54.9 m-85 -148.07 140.59 24.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.0 mt -105.16 143.57 33.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -129.85 154.94 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -129.84 160.09 34.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -143.66 132.43 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 156.56 -118.45 0.84 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLY . 8.7 m-20 -37.18 -45.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -167.49 168.4 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.57 105.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -121.45 146.52 46.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -144.05 131.94 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mt -125.82 111.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' OE2' ' CD1' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -84.31 140.93 31.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.19 -17.8 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 m -73.92 -16.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -101.1 -31.53 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 66' ' ' VAL . 50.9 mt -56.76 122.08 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.8 m -88.8 -67.16 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.4 m -106.98 156.69 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 87' ' ' LEU . 48.6 t -148.23 106.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.419 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 12.0 pt20 -129.8 155.71 45.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.1 132.15 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.75 145.33 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -118.91 17.96 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.73 -174.57 43.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.3 ttm -151.53 143.58 23.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 31.8 t80 -130.45 100.03 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 66' ' ' VAL . 12.3 mt -103.48 151.51 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -126.96 128.32 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -140.69 145.31 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.0 p -97.76 141.96 30.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.61 127.21 27.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.34 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.7 -11.7 85.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 95' ' ' GLU . 22.8 m -123.58 146.65 47.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.417 ' N ' HG23 ' A' ' 94' ' ' THR . 16.7 mp0 -91.57 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.37 -178.01 16.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.16 147.5 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.0 m -123.16 135.67 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -108.17 154.62 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.84 123.91 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -104.73 135.3 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.8 mt -127.81 133.64 49.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -138.07 135.38 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.09 127.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.435 ' CG2' ' HG ' ' A' ' 25' ' ' LEU . 52.6 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.483 ' O ' ' CG2' ' A' ' 116' ' ' VAL . 11.6 mmt85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtt-85 -63.65 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -77.58 -66.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.53 -59.14 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 112' ' ' ARG . 86.2 t -46.62 -44.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.08 -54.36 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 25.7 t90 -52.0 -45.75 64.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.2 mt -49.39 -71.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.18 -37.12 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.46 -27.3 47.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.6 tpt -72.87 -64.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -54.61 -41.99 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -63.74 -41.21 98.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.63 67.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.526 ' O ' ' CD1' ' A' ' 130' ' ' TYR . . . -51.61 -33.29 32.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -53.77 -19.63 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.4 mt -83.64 -51.57 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -22.19 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 126' ' ' ALA . 3.3 m-30 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.408 ' N ' ' HE2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.73 0.3 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -47.76 -26.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.97 -69.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.45 -36.99 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 71.2 t -60.11 -50.2 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.0 mt -63.06 -56.13 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 20' ' ' SER . 73.5 mt -53.9 -52.85 59.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 25.6 t -34.83 -47.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.59 131.74 3.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' CE2' ' A' ' 24' ' ' PHE . . . -120.73 163.07 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.067 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.422 ' CG2' HG22 ' A' ' 36' ' ' THR . 17.1 m -87.22 147.22 25.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 23' ' ' THR . 66.4 m-85 -157.22 151.0 24.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HG ' ' CG1' ' A' ' 105' ' ' VAL . 18.2 mt -89.1 107.57 19.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.3 t -95.22 120.74 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -105.67 96.17 6.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 91.3 m-85 -72.14 135.79 46.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.29 -37.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -83.96 -41.05 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' PHE . 21.5 m -75.63 81.87 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -47.64 -32.91 6.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -102.52 135.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 153.66 69.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.5 152.32 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 23' ' ' THR . 56.1 m -74.8 106.0 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.6 mtp -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.4 m -109.28 138.02 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.402 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 84.2 m -126.1 118.27 24.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -139.7 167.78 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.08 166.74 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -83.34 177.98 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -43.53 -60.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -96.35 23.42 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 46.74 42.89 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -98.02 -25.81 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.64 155.29 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -113.01 142.02 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.967 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.81 149.57 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 9.1 mt -123.26 159.8 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -140.32 116.88 10.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.89 -124.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -46.29 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -152.34 167.14 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -61.36 103.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -112.96 150.04 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -157.09 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 56.9 mt -104.75 100.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -65.74 114.39 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -48.07 -38.13 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.3 m -50.69 -31.59 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -82.49 -41.59 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 66' ' ' VAL . 67.5 mt -49.26 128.39 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -101.33 -54.95 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.2 m -103.94 146.76 28.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' HG23 ' A' ' 63' ' ' ILE . 73.6 t -146.96 105.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -136.9 160.77 37.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.0 mt -102.35 137.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.1 mt -89.84 133.13 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.3 p -92.55 -39.2 11.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -143.69 -171.25 13.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -141.94 146.88 36.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -128.46 121.27 28.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.76 138.67 47.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.64 135.65 53.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -154.1 154.81 34.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.1 p -109.45 131.21 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.63 130.19 56.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.734 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 91.42 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.757 2.305 . . . . 0.0 112.35 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.02 17.88 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -140.4 175.09 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.1 144.38 41.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.63 -173.4 45.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 98' ' ' THR . 46.7 t -122.2 141.11 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 97' ' ' VAL . 59.4 m -107.62 129.13 55.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.1 140.33 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 tp -106.06 150.74 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -132.95 123.11 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.411 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 34.8 mt -113.91 144.2 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.1 m -143.23 154.35 43.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 105' ' ' VAL . 85.8 t -73.05 135.95 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 18.5 ttt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -38.21 -45.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -53.93 -63.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.97 -59.21 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.6 t -44.9 -48.23 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.424 ' O ' ' CG1' ' A' ' 120' ' ' VAL . . . -53.06 -51.03 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.532 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 45.7 t90 -56.79 -42.94 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.8 mt -59.86 -52.83 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.461 ' CG2' ' HE3' ' A' ' 124' ' ' LYS . 5.7 p -63.07 -40.65 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -66.56 -39.36 88.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.3 tpt -61.86 -54.46 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -59.36 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.461 ' HE3' ' CG2' ' A' ' 120' ' ' VAL . 28.7 mttt -43.58 -59.4 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -55.58 -50.09 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -34.45 -48.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . 94.9 mttt -41.14 -53.52 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.2 mt -38.5 -53.15 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.6 mt -40.07 -58.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.717 0.294 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 4.5 pp0? -88.89 -39.82 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.23 -43.45 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -54.1 -33.04 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -75.19 -40.33 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 21.4 mt -61.44 -59.34 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 15' ' ' LEU . 96.9 mt -48.37 -60.47 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 5.6 t -34.47 -42.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.35 137.86 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' CE2' ' A' ' 24' ' ' PHE . . . -134.9 173.4 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 24' ' ' PHE . 7.9 m -87.92 147.8 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.43 ' N ' HG23 ' A' ' 23' ' ' THR . 20.5 m-85 -155.35 156.25 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HG ' ' CG2' ' A' ' 105' ' ' VAL . 35.9 mt -96.01 106.14 18.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.0 t -93.87 130.53 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.27 108.56 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' SER . 57.3 m-85 -77.9 139.5 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -36.07 -40.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.29 -41.8 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 m -73.09 119.43 17.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.51 -21.2 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -110.27 133.52 21.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 144.83 55.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -124.58 149.83 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -69.51 112.58 6.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.5 mtp -132.23 151.27 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 m -101.92 124.98 48.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.08 118.71 34.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.61 161.7 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -103.95 132.36 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.472 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 4.7 t -63.12 173.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -52.62 -40.04 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.76 -17.7 60.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 54.76 39.97 31.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -121.43 -19.73 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -123.91 140.99 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 mt -101.39 133.04 46.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 42' ' ' SER . 12.8 m-85 -112.47 153.93 26.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.0 mt -133.82 134.06 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -117.07 132.62 56.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 157.88 -133.12 3.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER -35.49 -45.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -152.69 -179.02 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -87.67 85.08 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.425 ' C ' ' OE1' ' A' ' 57' ' ' GLU . 13.3 m-85 -95.08 145.68 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 41.0 mp0 -146.95 123.36 11.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 89' ' ' TYR . 22.8 mt -111.97 100.08 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.35 127.73 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.9 mt -58.88 -30.77 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -52.06 -27.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -91.64 -45.38 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mt -43.2 128.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -107.69 -50.72 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.4 m -104.65 131.33 52.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -134.3 102.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.454 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 15.4 pt20 -131.32 159.29 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -104.9 137.17 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -90.9 127.39 36.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.891 0.377 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.6 p -83.94 33.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 157.38 -172.45 34.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.431 ' HE3' ' CG ' ' A' ' 122' ' ' MET . 3.0 ttt -156.85 128.66 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.454 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 28.6 t80 -109.25 122.25 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' CD2' HG11 ' A' ' 66' ' ' VAL . 9.0 mt -128.1 168.54 15.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -145.84 131.94 19.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 58' ' ' ILE . 19.4 p90 -140.72 167.07 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -121.5 133.48 55.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.46 ' HB ' ' CG2' ' A' ' 94' ' ' THR . 9.2 t -100.26 128.92 29.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.01 2.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.336 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.6 17.99 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 1.6 t -141.37 160.97 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.144 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -102.46 111.16 23.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.64 -165.09 12.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.68 152.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.409 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 56.9 m -122.33 136.64 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -111.79 148.38 33.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 tp -119.07 139.38 51.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -121.46 131.08 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.433 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 24.3 mt -122.06 148.02 45.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.4 m -142.83 164.47 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.8 t -97.44 135.09 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.445 ' CG2' ' HG ' ' A' ' 25' ' ' LEU . 22.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.815 0.341 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -42.63 99.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -70.42 -55.21 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.01 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.49 -41.69 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.545 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 36.9 t90 -67.91 -44.59 76.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.03 -61.69 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 121' ' ' ALA . 7.2 p -47.98 -45.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.454 ' N ' HG11 ' A' ' 120' ' ' VAL . . . -65.68 -42.12 91.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.431 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 10.6 tpt -50.83 -51.24 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -65.83 -60.83 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -40.0 -47.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.42 -41.11 69.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.09 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.06 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.45 -32.36 42.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.2 -60.6 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.783 0.325 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.502 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 1.5 pp0? -88.17 -45.12 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 14' ' ' GLN . 23.7 mt -40.96 -53.79 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -56.39 -37.9 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.4 t -66.32 -45.54 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 15.0 mt -62.26 -51.37 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.5 -60.28 3.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -42.92 -44.45 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.43 134.22 6.13 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.01 -178.69 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 m -107.71 148.8 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -156.94 168.53 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.2 mt -106.62 103.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -92.64 134.38 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 m -118.16 120.72 38.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -90.22 141.09 29.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -38.52 -41.75 1.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -77.46 -48.8 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -76.2 99.42 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.28 -23.69 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -96.19 135.66 22.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.6 65.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -122.94 144.63 49.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.0 m -76.33 104.82 7.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 33.0 mtp -118.42 174.06 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.6 m -125.44 128.23 47.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.168 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.2 m -111.48 140.86 45.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -155.26 164.58 38.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.11 162.31 13.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -72.79 172.8 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -49.91 -43.25 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -103.73 22.68 14.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 42.5 41.39 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -100.13 -17.93 17.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD1' ' OE1' ' A' ' 59' ' ' GLU . 92.8 m-85 -145.85 149.26 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -100.09 147.51 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.83 141.31 42.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -106.76 159.59 16.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.05 118.74 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 176.11 -134.88 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' GLY . 1.9 p-10 -37.87 -41.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.65 162.26 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -72.4 126.59 30.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -149.81 154.74 38.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.962 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.2 pm0 -155.9 136.91 13.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.471 HG22 ' CD2' ' A' ' 89' ' ' TYR . 10.9 mt -120.7 108.45 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' OE1' ' CD1' ' A' ' 47' ' ' TYR . 9.7 mm-40 -67.13 133.49 49.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.31 -12.38 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.7 m -76.73 -33.84 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -80.93 -28.03 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.8 mt -63.53 134.73 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -112.39 -55.4 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -104.55 141.42 36.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.79 110.26 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -139.11 160.26 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.4 HD13 ' CB ' ' A' ' 123' ' ' HIS . 51.5 mt -105.58 138.73 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.36 124.19 36.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.361 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.3 p -100.03 -27.3 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -157.05 -177.48 30.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.1 ttm -141.74 145.78 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -123.89 129.66 51.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -135.15 151.12 50.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -128.11 135.76 50.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.471 ' CD2' HG22 ' A' ' 58' ' ' ILE . 5.7 p90 -152.72 146.38 25.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.5 p -98.78 140.2 33.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 91.9 t -92.86 138.81 23.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.68 0.753 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.78 126.75 13.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 2.223 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 -30.16 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 95' ' ' GLU . 51.8 m -90.67 137.51 32.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.163 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 94' ' ' THR . 13.0 mt-10 -91.29 113.88 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 166.11 11.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.3 t -108.57 137.72 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.8 m -110.19 136.18 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.493 ' CD ' ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -105.04 158.84 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 tp -136.94 124.16 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -104.38 145.42 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.497 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 57.8 mt -131.52 129.4 41.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 104' ' ' VAL . 91.0 m -137.22 143.24 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 103' ' ' THR . 97.0 t -76.11 132.65 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 114' ' ' GLN . 12.0 mtm180 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -40.14 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' ARG . 30.0 tp60 -74.75 -64.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.01 -57.84 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.72 -38.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.5 -62.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 26.5 t90 -40.74 -30.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.84 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.04 -37.33 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 14' ' ' GLN . . . -65.82 -34.18 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.47 -54.07 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.4 ' CB ' HD13 ' A' ' 68' ' ' ILE . 28.6 t-80 -63.8 -48.34 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -52.26 -41.44 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.3 40.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.08 -27.08 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -61.04 -56.23 23.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.98 -29.62 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.73 -40.72 79.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.746 0.307 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 18' ' ' LEU . 31.4 mt-30 -59.47 -18.53 40.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.85 -43.63 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 10.7 ptpt -75.71 -39.73 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.452 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 84.2 t -68.45 -40.93 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.5 mt -61.83 -61.82 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -46.23 -50.86 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -40.62 -54.91 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.82 145.21 18.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.96 155.67 48.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -87.96 144.85 26.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -153.66 175.6 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -104.44 112.48 25.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -102.54 135.13 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -124.72 108.65 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -84.86 169.56 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.53 92.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -78.12 -42.82 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -80.29 119.05 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.2 -30.72 34.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -102.62 139.05 19.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.33 50.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -121.0 146.97 46.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 m -69.59 106.92 3.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 mtt -121.39 176.74 5.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.0 m -126.4 127.88 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.1 m -118.11 117.46 29.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -140.97 163.39 33.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.98 129.62 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.56 168.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -51.79 -34.52 40.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.93 -20.14 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 56.67 40.12 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -126.38 -2.43 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -146.5 145.48 30.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.03 144.96 29.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -133.3 146.26 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -118.66 155.54 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -149.56 133.41 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 159.12 -131.22 2.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' GLY . 28.5 t70 -35.48 -48.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -150.1 168.95 22.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 5.9 p80 -71.92 122.3 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -138.88 150.58 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -149.87 126.45 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.66 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.32 113.03 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 62' ' ' HIS . 33.6 m -61.11 -28.78 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.409 ' N ' HG21 ' A' ' 61' ' ' VAL . 8.0 m170 -85.19 -41.9 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 66' ' ' VAL . 50.1 mt -45.95 119.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -92.82 -59.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -104.01 146.38 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 63' ' ' ILE . 66.6 t -142.03 105.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -135.85 146.44 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.434 HD11 ' CB ' ' A' ' 123' ' ' HIS . 90.1 mt -102.67 136.03 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.4 mt -85.79 122.76 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.896 0.379 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.8 m -94.23 -37.36 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -147.2 178.55 24.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.3 ttm -140.22 155.44 46.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 28.1 t80 -133.08 146.15 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 86' ' ' PHE . 11.1 mt -151.2 140.77 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -122.63 128.85 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -145.01 175.05 10.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.1 p -120.28 143.31 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 84.4 t -90.72 138.67 26.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.99 27.61 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 95' ' ' GLU . 57.9 m -145.37 139.82 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.757 0.313 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . 0.442 ' N ' HG21 ' A' ' 94' ' ' THR . 9.7 pt-20 -90.3 114.38 26.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 174.35 13.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.7 t -120.64 133.71 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.5 m -105.66 135.41 47.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -113.62 143.26 44.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tp -113.18 158.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -137.98 135.71 36.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 mt -127.44 131.98 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -143.66 150.9 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -76.79 122.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.8 0.333 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -50.07 -41.83 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -57.35 -62.02 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.33 -68.05 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.6 t -39.9 -40.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -51.51 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.535 ' CH2' ' HG3' ' A' ' 122' ' ' MET . 16.7 t90 -62.63 -28.92 70.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.13 -60.64 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.42 -34.1 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.85 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.535 ' HG3' ' CH2' ' A' ' 118' ' ' TRP . 1.2 tmt? -43.68 -68.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.434 ' CB ' HD11 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -42.02 -62.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -40.47 -39.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -77.92 -41.51 36.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.505 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -42.27 -29.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -81.66 -33.11 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 125' ' ' ALA . 3.6 mm? -55.9 -39.58 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.82 -56.9 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -81.57 -41.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' ' 16' ' ' LYS . 3.5 pp -66.22 -45.48 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 15.5 pttp -60.64 -43.87 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 76.3 t -64.91 -42.67 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.506 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 76.4 mt -63.5 -63.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -46.35 -48.15 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 t -42.07 -36.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.94 135.02 2.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.441 ' HB1' ' CZ ' ' A' ' 24' ' ' PHE . . . -128.49 157.37 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -89.2 142.34 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 48.3 m-85 -154.28 161.86 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 34' ' ' PRO . 13.7 mt -97.6 119.6 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.8 t -104.66 122.1 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.32 116.32 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.02 135.42 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.63 -33.1 1.45 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 32.3 t-20 -73.9 -46.83 42.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -89.02 131.07 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.05 -25.56 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -105.31 138.99 19.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.465 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.82 170.3 16.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -141.72 143.32 33.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.8 m -66.29 112.01 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 41.7 mtp -131.16 149.33 52.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -99.19 124.1 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 27.1 m -109.68 119.11 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -138.79 161.85 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.01 165.02 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -75.78 175.29 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -44.01 -55.96 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -99.68 19.16 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 53.12 48.11 22.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.513 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 47.2 mtp180 -97.83 -10.33 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 46' ' ' ARG . 9.9 m-85 -159.44 153.88 24.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.05 149.55 23.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.05 134.4 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 34.9 mt -112.91 157.81 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -138.64 144.21 39.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 148.62 -132.46 4.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' GLY . 14.6 m-20 -36.34 -49.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -148.08 178.76 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -83.41 99.24 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -110.99 152.45 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -155.21 122.39 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.404 ' CD1' HD22 ' A' ' 100' ' ' LEU . 57.1 mt -101.27 99.94 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 41.0 mt-10 -64.48 118.97 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.1 mt -54.22 -26.63 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 59' ' ' GLU . 18.0 m -61.88 -18.05 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -99.17 -35.52 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 66' ' ' VAL . 62.9 mt -53.43 134.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.3 m -105.56 -63.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.0 m -104.08 139.53 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.456 HG13 ' CD2' ' A' ' 87' ' ' LEU . 86.3 t -134.97 100.97 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -126.38 159.41 33.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 69' ' ' LEU . 80.3 mt -108.58 142.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.43 ' N ' HG23 ' A' ' 68' ' ' ILE . 84.4 mt -89.17 101.71 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -92.58 24.64 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 161.99 -170.14 37.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 ttt -148.44 151.19 34.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -129.83 113.55 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.456 ' CD2' HG13 ' A' ' 66' ' ' VAL . 6.7 mt -119.46 152.76 36.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -126.94 140.83 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 16.0 p90 -154.43 168.39 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.9 p -116.94 143.0 46.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 98.4 t -119.1 138.94 26.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.676 0.75 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.457 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 54.1 Cg_endo -69.75 130.65 19.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.4 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.56 -49.0 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -76.36 171.51 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 111.123 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.68 125.37 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.38 -161.25 13.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 98' ' ' THR . 85.3 t -124.62 138.15 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.457 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 92.7 m -100.35 152.34 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -125.32 151.4 46.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.404 HD22 ' CD1' ' A' ' 58' ' ' ILE . 5.0 tp -124.53 117.41 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -98.19 132.54 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 73.8 mt -118.91 137.76 53.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.3 m -141.32 132.0 25.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.9 t -67.84 130.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.441 ' O ' ' CG2' ' A' ' 116' ' ' VAL . 13.0 mmt180 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -49.79 -53.97 22.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -60.85 -66.23 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.71 -59.14 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 112' ' ' ARG . 98.9 t -47.55 -51.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.71 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.506 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 27.7 t90 -54.75 -40.92 69.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.91 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.66 -38.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.84 41.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 15.4 tpt -47.9 -45.02 30.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 123' ' ' HIS . 1.3 t-80 -67.15 -47.13 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -53.22 -54.89 29.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -53.0 58.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -37.38 -33.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -60.53 -54.39 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.68 -45.11 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.02 -53.14 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.738 0.304 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -79.09 -38.01 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.6 mt -50.18 -58.81 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 12.5 pttp -52.41 -38.11 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 54.6 t -69.64 -37.81 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 12.4 mt -70.52 -66.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -48.69 -43.07 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -46.29 -52.67 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.53 154.57 27.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.447 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 24' ' ' PHE . . . -142.62 179.94 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 m -105.6 135.88 46.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 119' ' ' LEU . 6.3 m-85 -148.26 172.48 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 105' ' ' VAL . 13.8 mt -103.63 113.8 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.4 t -100.78 129.57 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 126.62 55.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -97.43 140.38 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.68 -27.84 2.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -80.1 -45.9 17.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 98.7 p -92.85 131.87 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -13.27 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -101.79 129.34 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.421 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.79 150.6 68.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -128.33 142.26 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -70.41 105.1 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mtp -120.59 175.55 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -119.86 128.0 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.8 122.97 42.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 161.32 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.88 121.69 43.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.02 177.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -42.89 135.32 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.9 t-20 51.72 25.02 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 44' ' ' ASN . 24.2 pt20 44.13 45.15 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 14.3 mmm180 -93.51 -4.27 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 90.5 m-85 -157.85 161.59 38.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.7 mt -119.94 133.34 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -119.24 151.95 37.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -125.6 158.91 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -141.49 136.94 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . . . 158.34 -151.38 22.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' GLY . 4.9 m-20 -36.39 -31.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 52' ' ' GLY . 19.9 m -152.4 143.74 23.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -77.38 107.74 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -104.03 168.91 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -148.47 116.31 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.1 mt -113.54 100.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.53 122.25 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.2 mt -50.18 -33.25 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.3 m -52.66 -28.41 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -89.65 -48.93 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG22 ' CG2' ' A' ' 66' ' ' VAL . 33.9 mt -38.05 128.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -100.63 -61.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -103.96 149.14 25.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 63' ' ' ILE . 85.7 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -135.33 159.15 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.1 mt -108.35 135.17 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.81 128.53 34.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.8 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.2 p -85.97 -25.59 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.82 -159.88 19.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.3 ttm -150.49 157.55 43.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 23.8 t80 -128.32 142.66 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 86' ' ' PHE . 4.6 mt -148.21 142.87 26.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -124.51 131.57 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -145.91 171.4 14.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.6 p -119.31 145.59 46.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -104.71 133.84 19.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 95.06 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.349 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.41 10.11 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -124.09 162.99 22.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 111.123 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -106.35 110.63 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.88 -169.96 13.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.19 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.6 m -109.26 131.89 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 16.7 pt20 -104.13 164.8 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.9 tp -140.6 138.62 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -118.07 127.53 53.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 91.3 mt -117.39 136.89 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -140.1 145.57 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 105' ' ' VAL . 33.5 t -71.24 148.36 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 25' ' ' LEU . 16.4 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 18.2 mtt85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 41.9 mtt180 -37.5 -49.51 1.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -49.37 -68.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . 0.462 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -56.05 -57.66 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.0 t -42.55 -47.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.15 81.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 12.1 t90 -65.89 -30.67 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.492 HD21 ' CE2' ' A' ' 24' ' ' PHE . 65.7 mt -66.4 -48.51 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 121' ' ' ALA . 3.0 p -76.8 -35.43 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.415 ' N ' HG11 ' A' ' 120' ' ' VAL . . . -61.87 -46.81 87.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 123' ' ' HIS . 1.1 tmt? -50.0 -68.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' MET . 0.9 OUTLIER -37.8 -69.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -42.86 -35.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.37 -41.66 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.96 -35.47 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.16 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.19 -34.66 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.39 -49.72 70.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.765 0.317 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' LEU . 2.0 mp0 -84.39 -49.18 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' GLN . 82.8 mt -34.2 -61.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -48.19 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.5 t -52.25 -44.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 17.7 mt -64.42 -63.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 mt -46.55 -45.08 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -43.26 -45.42 5.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.68 130.96 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 24' ' ' PHE . . . -120.08 164.25 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 39.5 m -95.22 147.03 23.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 34.7 m-85 -159.88 171.93 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -109.59 123.49 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 HG11 ' CZ ' ' A' ' 28' ' ' PHE . 65.1 t -108.53 127.82 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -110.7 109.15 19.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 51.6 m-85 -87.43 139.71 30.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.24 -39.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -79.17 -59.54 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.63 97.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.61 -20.55 65.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -109.6 134.47 20.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 134.16 27.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -108.76 151.59 26.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -79.69 106.91 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.2 mtp -122.71 156.22 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -103.24 123.81 47.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 t -104.17 122.76 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -142.53 167.26 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -108.98 157.29 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.42 166.91 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -46.84 -44.43 19.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.31 5.15 48.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 55.69 52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' CG ' ' A' ' 47' ' ' TYR . 6.5 mmm180 -108.03 -7.54 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' CG ' ' C ' ' A' ' 46' ' ' ARG . 8.3 m-85 -155.97 170.27 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -116.6 140.98 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -124.48 150.51 45.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -127.79 147.07 50.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.48 118.31 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.37 -124.47 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -41.62 -48.55 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -152.6 164.56 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -69.03 96.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -109.42 149.57 29.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -149.89 117.61 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.459 ' CD1' HD21 ' A' ' 100' ' ' LEU . 35.4 mt -100.07 103.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.61 122.92 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.0 -40.45 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.3 m -47.63 -27.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.47 -47.11 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.443 HG22 ' CG2' ' A' ' 66' ' ' VAL . 32.7 mt -42.04 131.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -105.69 -57.1 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -103.96 145.85 29.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.443 ' CG2' HG22 ' A' ' 63' ' ' ILE . 93.3 t -147.52 107.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.29 160.73 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 69' ' ' LEU . 73.3 mt -100.95 137.58 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.448 ' N ' HG21 ' A' ' 68' ' ' ILE . 76.2 mt -84.45 136.15 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.883 0.373 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.5 m -105.28 -39.09 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -150.68 -161.32 9.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 tpt -144.87 153.22 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -133.36 107.58 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' A' ' 66' ' ' VAL . 6.6 mt -120.59 124.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -101.57 154.31 18.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -169.76 163.4 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.2 p -109.91 161.39 15.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.1 t -125.18 131.15 24.01 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 0.0 111.166 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 107.13 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.32 -41.49 1.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -87.69 166.79 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -111.08 118.7 36.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.28 -166.17 14.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 98' ' ' THR . 90.0 t -126.41 142.66 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.386 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 97' ' ' VAL . 89.0 m -107.3 147.11 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.87 153.68 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 58' ' ' ILE . 5.0 tp -126.66 139.1 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -120.53 127.96 52.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 86.5 mt -115.2 141.03 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.0 m -129.73 145.27 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.98 134.54 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 13.8 ttt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.757 0.313 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 10.0 mpt_? -38.16 -47.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.79 -60.81 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.74 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 89.8 t -44.0 -51.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.21 -38.81 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.439 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 35.6 t90 -76.93 -47.04 22.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.3 mt -52.49 -48.56 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 121' ' ' ALA . 12.6 p -72.04 -27.49 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.464 ' N ' HG12 ' A' ' 120' ' ' VAL . . . -64.67 -50.67 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.4 tpt -56.27 -52.09 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -56.39 -34.32 66.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -72.41 -48.47 41.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -63.63 -55.42 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.13 -40.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -54.9 -49.31 71.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 125' ' ' ALA . 42.5 mt -56.3 -43.82 79.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.44 -55.14 23.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.742 0.306 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 17' ' ' VAL . 28.2 mm100 -85.68 -37.49 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -42.57 -40.35 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 4.5 ptpp? -70.43 -31.4 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 55.2 t -77.61 -39.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.77 -49.43 75.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' SER . 43.9 mt -61.61 -46.53 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' LEU . 1.8 m -36.59 -48.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.23 132.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -135.34 146.47 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.7 m -72.19 142.29 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 22' ' ' ALA . 95.8 m-85 -148.42 160.83 42.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 HD12 ' CG ' ' A' ' 34' ' ' PRO . 12.0 mt -93.56 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 100' ' ' LEU . 97.3 t -103.33 129.04 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 m -100.5 97.66 8.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLY . 14.6 m-85 -75.25 155.86 36.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.37 -116.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -125.6 39.59 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' GLU . 38.9 t -79.77 102.18 8.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -37.96 -37.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 16.5 ttmt -105.88 130.62 22.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.459 ' CG ' HD12 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.74 -173.86 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -136.6 139.52 42.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -64.15 107.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 30.7 mtp -130.95 161.27 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.4 m -107.56 131.28 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.98 112.6 20.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -147.11 165.79 28.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.08 137.37 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -62.22 165.85 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -47.15 -39.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -70.76 -25.48 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 62.21 42.42 9.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -124.13 -19.45 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.09 148.59 49.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.438 HD12 ' CE ' ' A' ' 122' ' ' MET . 28.4 mt -99.39 142.23 31.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -125.18 156.69 38.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.6 mt -126.34 154.21 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.02 109.4 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.98 -125.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.52 -42.23 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -156.25 177.71 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -70.81 103.89 2.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -122.98 157.94 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -156.98 138.84 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.1 mt -105.06 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.54 101.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' VAL . 58.4 mt -43.38 -51.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' ILE . 7.0 m -36.34 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.1 m-70 -75.62 -54.76 6.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.463 HG22 ' CG2' ' A' ' 66' ' ' VAL . 50.4 mt -33.99 121.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.3 p -101.14 -56.01 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.793 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -103.94 141.46 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 63' ' ' ILE . 74.5 t -144.82 105.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -133.4 160.68 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 69' ' ' LEU . 84.5 mt -106.37 140.92 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' N ' HG21 ' A' ' 68' ' ' ILE . 46.4 mt -95.26 122.46 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.363 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 84' ' ' GLY . 8.5 t -92.07 -38.95 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 83' ' ' THR . . . -125.44 179.52 16.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.461 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -148.0 154.81 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 85' ' ' MET . 8.5 t80 -139.99 128.47 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.452 ' CD2' HG12 ' A' ' 66' ' ' VAL . 28.6 mt -135.26 165.53 25.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.36 135.54 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -159.55 156.34 27.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.0 p -99.17 142.46 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 87.4 t -110.16 138.86 20.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.597 0.713 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.76 133.13 24.82 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.46 -43.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.451 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 14.8 t -82.07 168.91 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -116.48 125.89 52.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.42 -165.97 12.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.97 134.68 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 94.1 m -109.09 129.44 55.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -110.82 147.85 33.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' CD1' HG12 ' A' ' 26' ' ' VAL . 3.0 tp -116.8 159.41 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -138.13 145.41 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt -131.5 135.6 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.1 m -138.51 148.21 44.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.38 130.82 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -47.83 -42.77 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -63.76 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.56 -63.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.53 -44.04 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.69 -50.35 44.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -64.21 -48.34 76.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.3 mt -50.29 -46.24 55.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 121' ' ' ALA . 9.4 p -74.21 -36.04 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.424 ' N ' HG11 ' A' ' 120' ' ' VAL . . . -57.72 -54.79 42.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.438 ' CE ' HD12 ' A' ' 48' ' ' LEU . 7.6 tpt -49.21 -60.33 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -46.37 -48.75 18.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -53.21 -47.45 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.81 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.1 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -53.22 -49.96 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.6 -42.79 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.06 -60.21 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -69.17 -17.77 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.29 -71.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -47.2 -38.76 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.63 -43.98 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.407 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 36.1 mt -66.54 -60.94 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -39.06 -54.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -44.01 -52.93 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.92 154.81 31.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -137.9 139.68 39.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.077 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.523 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 5.2 m -69.32 130.7 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 23.8 m-85 -141.17 172.8 12.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 34' ' ' PRO . 11.9 mt -105.16 116.94 32.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.05 132.78 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -118.91 135.73 54.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.101 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -113.44 160.12 18.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.21 -11.5 52.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -97.07 -36.25 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.6 p -96.79 119.56 35.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -7.67 57.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.7 138.26 25.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.563 0.696 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.77 145.36 56.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -120.12 140.66 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 m -70.87 109.63 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.6 mtp -128.79 153.97 46.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 m -93.09 147.55 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -135.39 126.76 28.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -155.94 166.5 33.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -103.62 150.59 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -66.9 169.76 7.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -47.77 -40.36 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -92.08 -13.74 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 66.67 39.96 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -104.24 -19.32 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -135.79 155.26 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -106.09 140.07 39.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -118.94 144.94 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.0 mt -131.34 120.0 22.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -111.4 138.4 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.63 -133.7 3.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.15 -47.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -146.15 158.08 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 13.5 p80 -73.33 115.02 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -124.41 150.34 45.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -146.17 112.98 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 89' ' ' TYR . 33.9 mt -107.54 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.31 132.65 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.49 -8.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -77.94 -27.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.3 -25.31 19.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.441 HG22 ' CG2' ' A' ' 66' ' ' VAL . 23.9 mt -61.65 135.69 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t -111.39 -53.96 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.3 m -109.38 141.48 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.441 ' CG2' HG22 ' A' ' 63' ' ' ILE . 70.3 t -143.23 106.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.98 156.83 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.43 HD13 ' CB ' ' A' ' 123' ' ' HIS . 77.7 mt -104.05 137.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.56 111.02 19.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.9 p -99.67 -24.93 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.03 169.96 42.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpp -122.75 147.2 46.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -124.61 121.46 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -130.68 140.78 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -116.95 139.54 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.41 ' CD2' HG23 ' A' ' 58' ' ' ILE . 11.1 p90 -158.35 146.16 18.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.8 p -95.49 137.27 34.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.7 t -85.99 134.35 39.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.73 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.84 21.15 8.8 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -142.91 145.89 33.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.53 123.81 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.02 15.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 87.9 t -104.53 140.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.5 m -105.37 153.55 21.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 3.3 mp0 -119.9 164.22 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -136.62 136.4 39.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -123.72 134.0 53.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.7 mt -123.09 152.01 41.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.5 m -141.61 147.49 37.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.8 124.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -49.4 -56.4 9.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -51.96 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -44.19 -68.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.5 t -43.0 -50.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.9 -48.94 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.407 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 30.6 t90 -66.14 -46.26 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.02 -55.27 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 121' ' ' ALA . 6.0 p -67.55 -43.79 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.457 ' N ' ' CG1' ' A' ' 120' ' ' VAL . . . -57.03 -27.94 62.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 9.0 tpt -68.73 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.43 ' CB ' HD13 ' A' ' 68' ' ' ILE . 9.9 t-160 -57.85 -47.56 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -55.13 -51.33 66.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 -21.78 60.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.594 ' O ' ' CE1' ' A' ' 130' ' ' TYR . . . -72.12 -22.46 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -70.94 -57.55 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.6 mt -37.81 -33.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -57.15 -61.63 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 11.4 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.704 0.288 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -77.35 -56.01 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -54.95 -43.68 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 2.7 ptmm? -59.55 -37.15 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 58.4 t -67.86 -43.37 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 49.3 mt -57.94 -41.89 83.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -66.86 -51.05 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -40.45 -45.58 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 126.6 3.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -121.09 165.37 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 24' ' ' PHE . 47.7 m -95.51 146.88 24.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 37.5 m-85 -157.58 150.1 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 34' ' ' PRO . 10.8 mt -84.43 104.07 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -92.41 108.34 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -93.43 123.06 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' GLU . 26.3 m-85 -89.97 142.5 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.22 81.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -72.73 -41.95 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.6 m -94.42 -7.27 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' PHE . 13.2 mt-10 38.82 24.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.2 ttmt -128.52 137.01 30.0 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.602 0.715 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.75 159.45 53.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -149.2 143.95 26.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -78.67 104.58 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.1 mtp -130.49 168.76 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.5 m -115.46 130.77 56.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -115.8 114.07 24.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -135.54 165.26 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 mt -102.88 146.07 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -60.11 178.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -52.53 -44.29 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -103.62 22.32 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 41.47 45.38 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -107.97 -25.88 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -132.09 144.14 50.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.8 mt -102.22 157.29 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -148.13 156.12 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -129.37 159.76 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.74 124.15 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 171.15 -134.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' GLY . 18.2 p-10 -37.69 -46.02 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -153.06 177.78 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -77.95 119.76 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -130.16 152.5 49.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -154.79 132.39 11.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 89' ' ' TYR . 43.6 mt -112.27 99.98 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.62 112.84 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.1 mt -48.06 -40.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 62' ' ' HIS . 34.0 m -50.02 -30.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.416 ' N ' HG23 ' A' ' 61' ' ' VAL . 52.6 m-70 -82.88 -47.45 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG22 ' CG2' ' A' ' 66' ' ' VAL . 78.7 mt -42.14 134.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 63' ' ' ILE . 86.0 p -111.4 -36.16 5.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.416 ' C ' HG21 ' A' ' 66' ' ' VAL . 85.1 m -121.73 143.86 49.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.469 ' CG2' HG22 ' A' ' 63' ' ' ILE . 89.9 t -146.87 105.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -135.89 156.92 48.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -102.96 143.63 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.7 mt -89.93 109.84 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.972 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.854 0.359 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.6 p -103.28 38.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.62 176.68 21.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.458 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 2.1 tpt -141.06 152.26 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -135.28 112.82 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 66' ' ' VAL . 14.1 mt -124.87 149.65 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -123.83 154.82 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.515 ' CD2' HG23 ' A' ' 58' ' ' ILE . 17.1 p90 -169.54 154.25 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.0 p -111.52 142.1 44.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.25 130.3 23.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.52 -41.41 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -88.33 152.13 22.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.151 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -94.31 128.17 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.2 179.62 24.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.4 t -113.9 146.19 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 111.099 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.471 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 90.6 m -108.26 130.11 55.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -104.47 171.67 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.2 tp -144.21 120.19 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -114.28 124.1 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 85' ' ' MET . 47.6 mt -108.21 146.75 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.7 m -142.64 150.45 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 105' ' ' VAL . 89.3 t -73.74 140.62 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . 0.464 ' N ' HG12 ' A' ' 104' ' ' VAL . 93.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -38.16 -44.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -77.98 -45.66 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.79 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.0 t -48.15 -47.52 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.02 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 17.5 t90 -67.45 -45.67 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 85' ' ' MET . 27.2 mt -49.46 -59.92 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.07 -43.53 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.43 62.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.3 tpt -58.9 -60.99 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -52.1 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -39.13 -61.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.44 -46.47 83.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -50.01 -56.85 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 mt -51.26 -53.23 37.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -40.22 -61.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.749 0.309 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -53.6 -22.37 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -46.2 -71.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -39.85 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.71 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 95.0 mt -63.1 -58.81 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.4 mt -55.52 -52.84 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.0 p -42.01 -50.93 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.91 146.24 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -132.39 164.31 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 36' ' ' THR . 20.6 m -83.64 144.42 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.1 m-85 -148.93 150.83 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -93.35 108.49 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.407 HG21 ' CD2' ' A' ' 102' ' ' LEU . 58.4 t -95.91 122.35 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -106.51 101.91 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -75.63 147.64 39.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.44 -48.86 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -74.21 -51.86 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 m -62.85 87.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.91 -30.22 33.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -103.21 135.24 19.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 142.59 48.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -114.25 155.49 26.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 23' ' ' THR . 32.0 m -81.23 111.44 17.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtp -125.68 176.5 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.3 m -127.13 131.22 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 t -122.95 119.4 30.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -142.22 164.03 31.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mt -104.69 132.73 50.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.456 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 6.0 t -59.34 177.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -52.87 -48.68 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -60.4 -19.63 56.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 18' ' ' LEU . 29.7 mt-30 52.37 42.04 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -124.7 -24.37 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -120.51 147.7 44.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.452 ' CD1' ' HE1' ' A' ' 122' ' ' MET . 13.2 mt -98.59 147.21 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 42' ' ' SER . 68.9 m-85 -136.82 144.01 43.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.4 160.76 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -149.17 128.69 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 165.04 -133.6 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-20 -34.46 -43.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.4 m -152.82 171.92 17.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -76.49 110.39 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . 0.404 ' C ' ' HG3' ' A' ' 57' ' ' GLU . 9.2 m-85 -121.17 157.27 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 36.1 mt-10 -150.92 124.24 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 40.8 mt -106.85 100.04 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.13 109.04 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.4 mt -48.74 -47.13 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -48.42 -36.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.24 -38.62 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.458 HG22 ' CG2' ' A' ' 66' ' ' VAL . 49.3 mt -51.6 122.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -95.63 -54.05 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 66' ' ' VAL . 63.6 m -104.03 145.32 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 63' ' ' ILE . 83.9 t -144.26 105.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -133.4 160.67 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -107.16 134.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -84.05 124.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.836 0.351 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.3 t -123.54 43.36 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 177.84 176.61 45.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.534 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.6 ttm -162.6 133.99 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 34.1 t80 -121.78 114.35 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 mt -119.04 155.12 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -133.23 131.62 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -146.87 165.45 29.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -114.86 140.2 49.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.76 128.81 27.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.77 -32.99 4.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.4 t -96.56 169.39 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 111.117 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.98 117.45 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.91 -178.63 16.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 98' ' ' THR . 87.0 t -114.4 143.99 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 111.158 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 97' ' ' VAL . 67.6 m -111.28 132.19 54.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.1 mt-30 -106.48 145.09 32.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.2 tp -120.01 131.78 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -115.71 132.24 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.407 ' CD2' HG21 ' A' ' 26' ' ' VAL . 63.1 mt -121.88 145.31 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 m -144.01 133.59 23.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 96.7 t -71.62 133.68 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 10.6 tpp180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.84 -56.01 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -59.5 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.57 -66.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.8 t -44.22 -47.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -69.9 -46.24 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.2 mt -52.13 -49.71 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 121' ' ' ALA . 14.5 p -70.48 -45.04 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.456 ' N ' HG12 ' A' ' 120' ' ' VAL . . . -54.05 -47.73 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.452 ' HE1' ' CD1' ' A' ' 48' ' ' LEU . 11.7 tpt -58.17 -53.45 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -49.47 -55.03 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -53.87 -44.28 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -64.87 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.31 -42.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -51.87 -55.81 17.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.37 -48.9 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.7 mt -42.46 -59.67 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.729 0.299 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' LEU . 77.0 mt-30 -72.7 -51.9 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' GLN . 48.2 mt -35.81 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -42.93 -43.73 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.33 -46.65 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 85.2 mt -52.41 -59.32 4.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.35 -46.48 55.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -37.34 -50.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.06 138.73 5.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 24' ' ' PHE . . . -129.61 165.55 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.566 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 17.1 m -84.26 147.67 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 23' ' ' THR . 65.3 m-85 -160.05 171.84 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -110.11 114.6 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -99.09 117.95 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -101.27 101.48 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.43 143.98 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.75 -36.42 6.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -73.92 -53.28 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -73.47 117.92 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -81.0 -6.98 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -122.86 138.23 29.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.01 46.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -123.5 141.81 51.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -66.57 106.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.75 159.13 28.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.4 m -107.2 121.07 43.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 m -109.59 125.01 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -144.36 167.62 22.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mt -103.03 144.57 31.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 174.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -45.79 -53.47 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -96.09 7.11 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 62.98 43.63 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.647 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 90.3 mtt180 -99.56 -10.35 22.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 16.9 m-85 -154.81 159.01 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -116.6 140.41 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -124.38 141.11 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.92 131.81 54.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 158.08 -131.11 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' GLY . 69.6 m-20 -34.6 -47.79 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -158.05 175.76 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -73.0 88.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -102.47 147.98 26.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -152.74 150.14 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 68.3 mt -127.93 100.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.19 122.84 18.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . 0.449 ' CG2' HD13 ' A' ' 129' ' ' LEU . 61.0 mt -59.43 -36.15 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 62' ' ' HIS . 20.4 m -48.01 -29.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.461 ' N ' HG21 ' A' ' 61' ' ' VAL . 7.3 m-70 -89.14 -49.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 66' ' ' VAL . 52.5 mt -36.38 126.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.4 t -105.37 -53.52 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.5 m -105.35 137.42 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 63' ' ' ILE . 57.3 t -138.22 105.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.95 158.33 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 69' ' ' LEU . 72.7 mt -105.49 137.17 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.435 ' N ' HG22 ' A' ' 68' ' ' ILE . 77.7 mt -82.94 129.14 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.845 0.355 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.0 p -51.23 -46.46 62.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.19 -179.06 35.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 ttm -119.98 155.82 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 46.6 t80 -133.65 119.13 18.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mt -129.87 151.61 50.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.86 140.7 50.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -157.4 155.55 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.5 p -102.39 154.36 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -115.07 129.96 24.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 81.87 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.16 32.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -150.5 177.91 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -118.82 118.8 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.2 -176.71 22.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 98' ' ' THR . 81.5 t -113.88 137.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' THR . . . . . 0.459 ' N ' HG11 ' A' ' 97' ' ' VAL . 87.7 m -101.93 136.92 40.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.429 ' CD ' ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -112.37 168.72 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 tp -134.62 134.21 40.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -118.27 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.87 153.66 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.5 m -142.28 146.17 34.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -87.08 119.03 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.917 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -54.19 -46.49 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -62.68 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.13 -62.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.64 -44.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' ALA . . . -53.08 -42.04 65.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.498 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 32.0 t90 -78.75 -33.41 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.25 -46.83 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.28 -38.75 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' ALA . . . -59.52 -53.65 55.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' MET . . . . . 0.468 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.2 tmt? -45.64 -68.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' MET . 36.7 t-80 -37.25 -41.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -53.54 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.98 -29.28 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 127' ' ' LYS . . . -66.31 -50.5 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 130' ' ' TYR . 16.1 mttp -33.14 -56.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -41.56 -45.96 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.449 HD13 ' CG2' ' A' ' 60' ' ' ILE . 13.1 mt -39.62 -57.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.703 0.287 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 17' ' ' VAL . 20.8 mp0 -66.07 -51.09 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -36.78 -57.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 6.1 pttm -62.51 -32.9 73.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' GLN . 58.5 t -68.89 -33.57 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 24.2 mt -70.33 -65.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -41.06 -51.14 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 t -44.12 -40.91 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 143.28 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.07 167.41 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 24' ' ' PHE . 22.6 m -87.04 143.12 27.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.432 ' N ' HG21 ' A' ' 23' ' ' THR . 84.0 m-85 -150.87 158.78 44.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 mt -100.18 107.18 18.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.03 127.65 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -116.24 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.72 148.95 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.25 -21.57 33.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.25 -34.13 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -100.38 131.39 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -85.51 -17.95 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -105.57 137.51 19.32 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -132.94 138.53 46.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -76.41 117.59 18.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.7 mtp -135.02 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 m -120.66 124.19 44.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -113.99 120.53 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.26 167.21 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -103.83 158.88 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 99.0 p -81.52 175.76 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -45.13 -54.29 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.83 -4.18 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 61.04 31.73 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 14.8 mtt-85 -96.24 3.03 53.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 46' ' ' ARG . 47.4 m-85 -157.69 148.72 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -104.39 146.29 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 42' ' ' SER . 10.3 m-85 -122.04 148.81 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.8 mt -126.83 153.39 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -139.97 129.49 24.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.28 -120.79 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.68 -43.35 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -149.45 173.71 13.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -70.71 105.49 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -120.11 149.05 42.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.8 140.66 16.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' A' ' 89' ' ' TYR . 33.9 mt -121.45 100.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.76 135.56 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.2 mt -70.05 -16.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.5 m -69.49 -21.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -97.2 -40.15 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -47.8 132.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -111.05 -51.58 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 m -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.5 t -134.59 101.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.19 158.51 41.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.1 mt -103.69 146.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.38 120.12 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.876 0.37 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.8 p -102.26 34.31 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.21 -161.34 27.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.8 tpp -155.71 146.07 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 12.0 t80 -126.28 125.01 41.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mt -128.57 154.85 45.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -132.69 136.5 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.428 ' CD2' HG23 ' A' ' 58' ' ' ILE . 31.7 p90 -152.23 147.73 26.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.4 p -103.26 144.28 31.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.41 130.07 25.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 80.63 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.96 36.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 t -143.38 173.62 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -115.39 106.7 14.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.06 -175.49 18.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 69.8 t -115.92 143.44 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.2 m -104.28 136.3 44.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.6 pt20 -115.39 137.95 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tp -115.68 122.09 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -100.12 135.36 41.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.2 mt -123.82 131.77 53.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 m -128.18 148.03 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.3 144.51 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -52.67 -39.36 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -66.91 -60.94 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.38 -57.79 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.4 t -47.98 -43.11 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.36 94.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 64.4 t90 -65.76 -46.87 77.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.9 mt -48.16 -62.81 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.8 p -61.54 -39.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.01 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.0 tpt -61.56 -55.99 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -58.55 -54.99 40.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -43.25 -58.5 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.05 99.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -43.7 -35.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.46 -49.78 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -52.52 -47.48 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.0 mt -46.66 -59.58 2.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' TYR . . . . . 0.418 ' N ' ' CD1' ' A' ' 130' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -104.53 130.64 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -66.3 -54.64 22.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.73 166.41 10.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -112.32 -48.28 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 m -147.98 137.88 22.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.12 -179.72 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . -120.37 104.96 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.291 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' ALA . 15.0 mp0 -34.83 -43.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.48 -52.17 66.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -73.14 -18.26 61.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.96 -35.06 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -57.81 -22.95 50.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' VAL . 29.8 mm-40 -89.43 -36.7 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' HG ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -40.29 -40.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 25.3 pttt -70.79 -38.55 73.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 14' ' ' GLN . 49.4 t -68.87 -37.72 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.538 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 31.3 mt -67.37 -54.29 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' SER . 58.3 mt -54.42 -50.89 66.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t -34.51 -46.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.86 122.18 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -114.12 153.1 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.15 139.43 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 70.9 m-85 -149.86 -179.49 7.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.9 mt -108.62 110.49 21.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.8 t -96.97 132.46 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.5 m -124.84 117.95 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -86.08 146.05 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.9 -39.36 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -76.5 -43.13 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.822 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -79.63 124.13 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -89.55 -18.05 27.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -101.16 138.6 20.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 139.6 40.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -120.2 137.01 54.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.5 m -68.11 112.28 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 14.2 mtp -128.41 171.8 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -117.31 130.01 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.0 m -116.73 125.79 52.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -146.39 167.96 22.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.07 164.14 11.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 t -81.42 177.27 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -51.35 -44.13 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' GLN . 12.0 m-80 -103.37 29.11 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 34.42 39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -108.31 -1.9 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -153.07 146.99 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -102.32 139.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -120.05 155.24 33.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.2 mt -135.82 143.26 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.0 136.41 44.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.44 -132.7 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.32 -25.87 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -155.94 172.46 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -85.79 112.04 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.404 ' C ' ' HG3' ' A' ' 57' ' ' GLU . 6.7 m-85 -124.74 147.69 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 26.7 mt-10 -149.17 126.14 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.453 HD12 ' CE2' ' A' ' 89' ' ' TYR . 56.9 mt -108.85 101.35 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -64.34 125.83 25.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.9 mt -65.23 -20.82 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 m -69.52 -26.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -89.36 -36.57 15.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG23 ' CG2' ' A' ' 66' ' ' VAL . 71.7 mt -49.73 132.52 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 t -101.58 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.3 m -107.82 149.83 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.458 ' CG2' HG23 ' A' ' 63' ' ' ILE . 43.1 t -150.86 105.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.07 159.06 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 37.3 mt -101.83 134.63 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.37 113.04 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p -101.41 135.4 42.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -56.93 -48.05 79.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.74 -126.83 1.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -66.72 143.45 98.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.741 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.33 27.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -43.71 2.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.56 -149.5 8.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.55 -153.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.14 120.2 5.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.19 178.76 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.03 46.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -46.38 118.7 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.37 118.24 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.5 p -106.79 -26.51 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -133.58 -177.13 14.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.461 ' CE ' HD22 ' A' ' 87' ' ' LEU . 0.9 OUTLIER -150.17 150.38 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.783 0.325 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -135.06 122.26 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.461 HD22 ' CE ' ' A' ' 85' ' ' MET . 0.9 OUTLIER -131.7 139.55 49.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -117.4 140.41 49.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.453 ' CE2' HD12 ' A' ' 58' ' ' ILE . 39.6 p90 -163.33 156.59 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.5 p -117.41 145.74 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.474 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 98.7 t -110.85 138.88 21.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.77 114.76 3.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.74 -45.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -80.93 -179.62 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.94 118.9 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.3 -158.72 14.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.6 t -125.63 145.44 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.151 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.1 m -114.25 129.38 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -112.17 148.56 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.2 tp -125.59 132.15 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -111.82 140.57 46.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 mt -130.37 120.05 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 m -119.54 162.16 19.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.55 122.5 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.45 149.46 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.22 37.0 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.97 177.8 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 9.0 p -73.02 -40.08 58.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 39.5 p -116.31 88.41 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.432 HG11 ' N ' ' A' ' 111' ' ' GLY . 5.9 p -112.91 -45.07 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.432 ' N ' HG11 ' A' ' 110' ' ' VAL . . . 92.79 50.15 2.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 111' ' ' GLY . 15.6 mmt180 -37.97 -39.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -59.02 -54.61 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -67.54 -48.24 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.57 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.81 -31.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.76 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.538 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 21.4 t90 -67.11 -51.84 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 93.2 mt -46.44 -63.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.44 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.8 p -52.79 -47.22 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.44 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -52.7 -48.93 66.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -53.18 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -48.08 -51.73 23.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -44.1 -53.47 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.19 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.574 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -54.34 -19.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.46 -50.44 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.8 -29.34 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.5 mt -59.13 -34.26 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -103.38 -57.61 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.18 -22.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.7 t -147.6 176.39 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.68 155.91 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.9 -56.98 4.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -104.67 127.87 52.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.2 p -89.72 104.85 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.446 ' N ' ' HD2' ' A' ' 138' ' ' PRO . . . 163.81 -60.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 137' ' ' GLY . 53.4 Cg_endo -69.79 -6.69 19.2 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.2 p -57.65 152.9 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 94.5 p -87.22 37.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -49.66 127.5 15.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -163.73 117.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.88 82.6 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -110.35 167.05 10.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -73.09 -59.02 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.78 -158.35 25.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.15 94.81 8.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.31 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.04 -34.49 77.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -58.55 -34.04 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -81.43 -30.94 33.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.48 -15.49 57.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -88.64 -25.8 22.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -74.44 -19.62 60.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.56 -68.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -38.67 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.39 -49.74 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.526 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 85.9 mt -57.48 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -46.04 -52.19 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -39.6 -35.05 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.5 131.42 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -113.52 179.55 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 0.0 111.117 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 8.5 m -105.59 140.9 37.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 23' ' ' THR . 44.0 m-85 -150.54 163.84 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.9 mt -94.7 115.28 27.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.468 HG21 ' CD2' ' A' ' 102' ' ' LEU . 62.1 t -101.25 126.82 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 m -118.39 108.11 14.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' SER . 80.2 m-85 -83.33 135.25 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.94 -37.62 0.1 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -71.41 -44.98 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' PHE . 9.6 m -87.47 121.84 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -84.69 -7.87 59.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -111.11 138.18 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 144.48 53.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.258 . . . . 0.0 112.295 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -122.69 146.86 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -79.9 108.67 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mtp -130.07 162.44 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -107.91 145.68 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.2 t -131.76 138.34 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -155.63 166.35 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 48' ' ' LEU . 5.2 mt -104.81 161.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -74.37 173.97 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -54.73 -35.56 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -105.99 12.14 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 47.89 52.56 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 9.3 mmt85 -118.48 -2.48 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' O ' ' A' ' 46' ' ' ARG . 76.7 m-85 -156.2 147.54 22.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.429 ' CD2' ' HG ' ' A' ' 41' ' ' LEU . 59.2 mt -110.03 143.67 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.15 151.05 51.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.93 158.05 25.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.91 139.84 45.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 147.97 -139.07 7.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' GLY . 2.2 m-20 -35.51 -37.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -153.27 172.08 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -97.46 90.74 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -98.85 159.83 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -144.36 123.19 12.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.23 100.53 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.415 ' HB2' ' CG2' ' A' ' 61' ' ' VAL . 1.3 pm0 -72.24 125.14 26.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.92 -31.1 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.415 ' CG2' ' HB2' ' A' ' 59' ' ' GLU . 4.2 m -55.42 -27.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -90.8 -46.59 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mt -38.72 136.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -112.99 -56.64 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.4 m -106.17 140.76 38.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 25.7 t -142.37 105.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -135.65 145.51 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 69' ' ' LEU . 56.1 mt -86.28 141.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.445 ' N ' HG23 ' A' ' 68' ' ' ILE . 78.7 mt -88.95 105.21 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.5 p -103.24 159.04 15.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -101.81 101.66 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.1 112.58 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -39.72 129.31 1.48 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 148.24 64.27 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.24 114.02 1.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.49 -159.43 28.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.53 -72.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -37.9 157.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -170.97 142.25 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.629 ' H ' ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -127.08 -174.93 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -163.52 128.27 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.3 p -109.84 17.56 21.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.74 179.26 42.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 16.8 ttm -145.33 148.29 33.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 3.7 t80 -126.87 130.32 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.8 mt -143.28 139.56 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -118.86 143.83 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -153.23 162.76 40.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -113.3 131.38 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 31.1 t -85.96 137.06 35.67 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.77 84.89 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.22 11.82 2.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.414 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 3.0 t -118.94 167.92 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -110.15 113.75 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.81 -164.52 12.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.47 141.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.9 m -101.46 132.01 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.423 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 10.9 pt20 -108.62 139.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 tp -118.73 143.16 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.26 131.97 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' HG21 ' A' ' 26' ' ' VAL . 43.8 mt -124.67 141.44 52.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 55.2 m -137.29 158.54 44.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 58.2 t -89.55 136.4 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 m -114.84 134.55 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -120.14 -28.99 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.84 -69.14 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 4.3 p -58.51 -52.01 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 35.0 p -134.96 135.85 41.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 4.2 m -89.12 154.42 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 145.65 40.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -50.43 -63.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -56.94 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -45.49 -59.9 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -57.03 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 75.2 t -44.6 -33.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -43.71 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.526 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 52.3 t90 -62.65 -39.96 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.25 -51.96 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.65 -33.21 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.03 -30.04 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.6 tpt -76.66 -46.62 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -64.26 -49.53 71.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.01 -36.23 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.05 -27.5 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.67 -46.15 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.4 ' O ' ' N ' ' A' ' 131' ' ' GLU . 2.2 ptmt -69.09 -34.04 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -35.8 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.07 -47.05 78.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -81.62 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 127' ' ' LYS . 9.9 mm-40 -50.75 -24.9 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.902 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 t -138.11 133.05 32.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -124.35 168.97 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -102.03 79.88 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -81.2 88.85 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.7 m 54.66 44.05 29.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.7 68.15 1.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 160.79 48.41 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 25.4 m -132.18 146.33 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 89.7 p -166.4 138.18 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -163.73 175.87 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -42.46 -55.24 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.28 43.57 6.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -51.63 137.44 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 p -70.86 125.57 27.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.32 84.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.39 89.51 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -78.39 -50.27 12.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -48.28 -55.64 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.501 ' CE2' HD22 ' A' ' 15' ' ' LEU . 58.8 t80 -62.44 -51.97 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.26 -43.42 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -64.64 -50.25 67.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.5 -31.51 35.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.501 HD22 ' CE2' ' A' ' 11' ' ' TYR . 76.7 mt -54.06 -58.92 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 8.4 pttm -64.32 -39.05 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 93.2 t -59.65 -41.29 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.438 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.2 mt -67.31 -58.98 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' SER . 26.2 mt -54.43 -47.61 72.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t -34.51 -48.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.37 124.16 2.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.515 ' HB1' ' CE2' ' A' ' 24' ' ' PHE . . . -120.61 157.16 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.433 ' CG2' HG23 ' A' ' 36' ' ' THR . 28.5 m -87.89 146.62 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.515 ' CE2' ' HB1' ' A' ' 22' ' ' ALA . 71.7 m-85 -155.96 157.73 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 11.3 mt -84.51 116.51 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.5 t -102.24 122.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 m -102.91 120.17 40.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -97.36 129.93 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.68 -35.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.94 -46.47 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -92.4 133.88 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -76.75 -28.42 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -106.15 134.45 19.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 168.48 21.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -132.43 149.6 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.433 HG23 ' CG2' ' A' ' 23' ' ' THR . 23.3 m -67.0 106.35 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mtp -131.43 147.23 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.3 m -97.32 132.46 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.16 126.98 54.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -141.09 167.17 22.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.0 mt -103.0 167.76 9.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -85.19 175.86 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -46.33 -55.87 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -94.46 18.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 47.94 48.56 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -113.26 -8.09 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.78 147.12 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.1 mt -104.51 138.2 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -121.21 141.38 50.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 mt -123.3 138.45 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.43 144.17 46.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.58 -138.45 8.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.6 -37.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.803 0.335 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.75 158.82 37.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.492 ' H ' ' CD2' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -85.68 96.02 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -99.03 159.13 15.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -147.59 113.51 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.467 HG23 ' CD2' ' A' ' 89' ' ' TYR . 24.5 mt -99.98 99.96 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 36.2 mp0 -63.58 110.37 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 53.8 mt -49.53 -34.76 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.433 HG21 ' N ' ' A' ' 62' ' ' HIS . 29.3 m -56.68 -29.81 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.433 ' N ' HG21 ' A' ' 61' ' ' VAL . 23.7 m-70 -82.81 -39.18 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.467 HG22 ' CG2' ' A' ' 66' ' ' VAL . 63.8 mt -49.35 132.67 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -102.82 -59.67 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.1 m -103.97 138.51 40.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 63' ' ' ILE . 83.9 t -134.98 101.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -129.26 160.43 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 93.1 mt -110.37 137.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.46 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 17.9 mt -91.8 139.05 31.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p -131.43 139.39 49.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -83.99 135.48 34.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.76 -65.32 0.25 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.439 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 5.9 t80 72.25 54.2 0.34 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.79 166.46 27.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.22 4.62 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.54 49.69 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.79 139.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -131.84 64.8 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.509 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.0 t30 59.7 42.23 17.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.21 128.02 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.444 ' N ' ' HD3' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -89.33 -60.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -165.43 117.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 t -98.95 -28.28 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.18 -158.21 8.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.2 ttm -166.47 150.56 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -135.79 104.99 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.439 ' CD2' HG13 ' A' ' 66' ' ' VAL . 7.6 mt -108.73 150.46 27.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -127.77 132.23 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.467 ' CD2' HG23 ' A' ' 58' ' ' ILE . 24.6 p90 -152.24 159.94 43.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.9 p -104.82 148.8 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.469 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 97.8 t -108.4 139.14 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.74 116.82 4.73 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.92 -47.56 1.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.429 HG21 ' N ' ' A' ' 95' ' ' GLU . 99.8 m -68.2 136.62 53.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.429 ' N ' HG21 ' A' ' 94' ' ' THR . 16.4 mm-40 -87.22 120.94 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 173.0 17.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.458 HG11 ' N ' ' A' ' 98' ' ' THR . 85.8 t -109.08 138.9 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.458 ' N ' HG11 ' A' ' 97' ' ' VAL . 89.3 m -104.42 140.98 37.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -112.85 158.86 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 16.2 tp -128.27 114.29 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.46 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 38.1 tttt -104.64 114.84 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.69 136.89 44.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.8 m -144.03 126.45 15.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.7 t -70.74 132.84 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.428 HG21 ' N ' ' A' ' 106' ' ' GLU . 9.5 p -95.85 139.07 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 107' ' ' ASP . 17.7 mt-10 -76.46 -38.63 55.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 106' ' ' GLU . 42.1 t0 -33.58 -63.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.5 t -48.94 146.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 47.9 p -43.38 161.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.7 t -52.82 107.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -153.73 39.42 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 5.1 mmt85 -72.55 -49.93 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -45.58 -46.36 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.501 ' CD ' ' C ' ' A' ' 114' ' ' GLN . 1.5 tm0? -61.91 -71.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.42 -59.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 64.8 t -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.36 -37.86 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.438 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 56.5 t90 -68.46 -53.33 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 71.4 mt -44.48 -58.69 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.25 -42.78 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.89 -59.63 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.424 ' N ' HD22 ' A' ' 18' ' ' LEU . 9.5 tpt -40.67 -54.71 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -60.19 -57.09 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -39.43 -58.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.05 80.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -47.86 -27.53 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 131' ' ' GLU . 17.6 mtpt -66.23 -58.49 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.0 mt -42.25 -46.02 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.4 mt -39.91 -59.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -104.08 -59.83 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 127' ' ' LYS . 6.2 mm-40 -42.79 155.4 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -127.78 159.81 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -107.12 142.12 37.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -110.44 -56.53 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 136' ' ' SER . 85.4 mm-40 -119.08 -47.94 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 135' ' ' GLN . 20.7 m -37.11 131.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.82 -95.45 2.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 168.31 21.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 55.4 p -80.38 -42.99 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 44.5 t -138.51 139.81 38.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -62.18 -61.46 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -56.32 148.72 18.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.22 -99.58 0.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -49.9 -46.13 51.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -84.11 147.78 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.34 132.92 5.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 74.74 46.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.716 0.293 . . . . 0.0 111.074 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -50.98 -28.14 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -70.09 -28.7 65.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -93.08 -29.21 15.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.09 -34.65 63.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -49.17 -38.22 25.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.36 -37.99 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.13 -51.9 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -54.55 -37.4 65.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.77 -43.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD11 ' CD1' ' A' ' 41' ' ' LEU . 16.4 mt -62.99 -58.8 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -39.53 -59.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -40.32 -45.79 2.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.56 146.46 12.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.518 ' HB1' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.46 178.5 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -102.75 147.47 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.518 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 26.9 m-85 -156.09 171.0 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.1 mt -107.47 118.5 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -102.34 136.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.0 m -123.76 111.78 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.77 143.94 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.48 -40.44 2.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -74.78 -40.8 60.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m -84.0 120.11 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -86.35 -13.73 45.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -109.83 136.1 20.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 145.36 56.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -123.02 146.11 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.3 m -73.04 111.96 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mtp -134.19 147.83 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.6 m -93.06 140.69 29.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -125.71 124.24 40.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -144.77 166.79 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.469 ' CD1' HD11 ' A' ' 18' ' ' LEU . 5.6 mt -103.25 167.85 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 p -80.6 178.01 8.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -52.54 -42.36 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -102.16 3.3 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.9 mt-30 64.93 30.55 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -99.14 -2.42 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -146.01 161.88 39.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.4 mt -123.2 131.84 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -115.24 150.82 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.2 150.72 52.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -133.6 137.45 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.98 -131.34 2.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -38.53 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -151.67 178.75 9.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 15.7 p80 -83.27 115.61 22.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -122.62 145.09 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -147.63 112.74 5.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.556 HD11 ' CE2' ' A' ' 89' ' ' TYR . 55.4 mt -107.98 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -64.7 153.91 38.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 47.3 mt -82.84 -15.2 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 15.6 m -65.88 -47.22 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.471 ' O ' ' C ' ' A' ' 63' ' ' ILE . 50.7 m-70 -64.65 -56.45 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' C ' ' O ' ' A' ' 62' ' ' HIS . 2.2 mt -32.11 147.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.5 t -124.01 -38.61 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -126.18 142.24 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 95.1 t -141.08 111.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 31.7 mt -95.72 139.3 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 92.4 mt -89.78 120.87 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.8 p -123.97 168.49 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -153.09 127.04 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.9 83.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -105.89 89.47 3.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.743 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 160.19 50.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.303 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -18.42 36.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -109.03 -143.24 10.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.15 169.43 27.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.51 111.33 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -72.25 -57.02 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.8 87.48 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -92.25 -66.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.1 122.54 26.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 p -122.37 30.92 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 153.92 -168.75 32.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.8 tpt -153.39 146.35 24.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.852 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -129.16 111.33 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 16.4 mt -118.71 141.72 48.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 22.0 mt-30 -121.35 132.91 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.556 ' CE2' HD11 ' A' ' 58' ' ' ILE . 13.2 p90 -152.76 147.58 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.7 p -101.6 148.88 24.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.7 t -110.31 136.76 20.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 121.48 8.18 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.371 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.22 -47.1 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -83.49 167.16 17.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 111.148 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -114.59 111.0 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.31 -172.06 22.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.35 137.22 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.7 m -104.37 147.36 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.53 145.44 50.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.9 tp -123.13 122.37 38.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -103.17 141.91 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.454 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 62.9 mt -127.35 141.22 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.6 m -142.56 144.06 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 74.5 t -67.76 131.18 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t -62.26 141.22 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -106.24 -27.81 10.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.54 -47.44 84.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 109' ' ' THR . 91.9 t -56.38 138.84 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.445 ' N ' HG13 ' A' ' 108' ' ' VAL . 88.5 m -41.7 -70.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.4 t -143.18 136.26 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 178.7 47.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 113' ' ' ARG . 12.0 tpp85 -90.8 -64.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -36.99 -58.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.446 ' C ' ' OE1' ' A' ' 114' ' ' GLN . 0.7 OUTLIER -47.86 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.65 -53.88 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.6 t -51.97 -44.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.16 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 26.2 t90 -59.45 -33.9 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 89.0 mt -63.26 -58.7 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.87 -46.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.412 ' C ' HD13 ' A' ' 18' ' ' LEU . . . -54.87 -49.26 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.417 ' SD ' ' C ' ' A' ' 122' ' ' MET . 0.8 OUTLIER -51.3 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 56.1 t-80 -48.35 -53.65 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.38 -60.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.21 83.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -49.52 -31.52 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.94 -38.46 88.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.47 -36.57 81.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.4 mt -54.41 -49.24 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -83.8 -52.41 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -75.74 -179.15 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.4 t -85.06 -175.95 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.24 160.09 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.04 100.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.44 -45.58 79.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.2 m -122.91 114.51 20.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.66 140.83 33.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.5 37.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.4 m -87.68 163.2 16.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.3 m -113.88 141.87 46.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -95.19 80.37 3.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -121.85 -61.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.97 104.93 0.26 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -83.32 97.5 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -120.76 145.12 47.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.67 111.72 3.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.66 36.6 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -61.05 -26.57 67.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -77.76 -54.77 5.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.58 -11.53 35.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 73.0 m-20 -83.87 -15.54 47.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -80.3 -33.67 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' CD ' ' N ' ' A' ' 14' ' ' GLN . 1.7 mp0 -78.41 -39.61 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 HD11 ' N ' ' A' ' 16' ' ' LYS . 0.5 OUTLIER -67.0 -42.14 85.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' N ' HD11 ' A' ' 15' ' ' LEU . 13.7 pttp -66.56 -34.84 78.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 t -76.92 -40.4 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.475 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 16.3 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' SER . 83.5 mt -62.21 -55.51 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' LEU . 3.3 t -37.13 -43.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.63 131.69 5.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -121.82 150.64 41.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 23.5 m -78.98 146.11 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.453 ' CG ' ' O ' ' A' ' 23' ' ' THR . 77.7 m-85 -158.88 155.54 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.7 mt -91.05 122.38 33.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.61 131.66 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 m -122.4 105.44 10.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 56' ' ' TYR . 96.9 m-85 -77.53 163.44 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.33 -29.61 63.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -84.68 -37.04 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 122.35 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.05 -29.18 23.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -93.62 138.47 22.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 140.48 42.81 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -120.42 139.75 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -69.47 107.19 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.31 165.36 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 m -112.01 136.1 51.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.6 t -121.84 123.24 41.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -140.89 164.99 28.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.67 166.11 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -76.64 177.93 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -45.9 -57.51 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -97.27 16.45 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 55.27 45.48 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -93.37 -13.91 27.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 15.5 m-85 -153.37 170.05 21.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -117.89 147.14 43.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.4 161.31 28.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.6 mt -142.31 142.28 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -121.67 133.19 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.19 -137.11 4.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.3 -41.77 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -151.64 166.03 32.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -68.78 95.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.53 ' CE2' ' CZ ' ' A' ' 28' ' ' PHE . 7.4 m-85 -99.38 145.99 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -147.09 129.66 15.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.49 HG21 ' CD2' ' A' ' 89' ' ' TYR . 58.0 mt -116.22 101.53 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -66.76 122.03 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.08 -37.13 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.415 HG22 ' N ' ' A' ' 62' ' ' HIS . 27.5 m -56.56 -22.58 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.415 ' N ' HG22 ' A' ' 61' ' ' VAL . 4.9 m-70 -92.61 -39.19 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 HG23 ' CG2' ' A' ' 66' ' ' VAL . 69.6 mt -44.07 124.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -98.47 -51.71 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.3 m -104.5 148.45 26.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.466 ' CG2' HG23 ' A' ' 63' ' ' ILE . 76.8 t -150.78 105.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -138.46 159.51 41.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.5 mt -100.96 145.93 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.469 ' CG ' ' HB2' ' A' ' 86' ' ' PHE . 79.8 mt -104.09 134.13 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.3 p -125.68 114.56 18.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.25 162.21 13.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.48 -98.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -70.21 146.26 94.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.9 17.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.53 37.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.05 -169.88 32.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -42.92 149.27 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 143.08 147.65 4.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -41.08 -37.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.849 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.69 139.67 40.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -120.1 -59.09 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.01 118.06 24.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.48 ' O ' ' CG2' ' A' ' 83' ' ' THR . 72.2 m -121.74 40.0 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 164.45 173.22 32.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.3 ttt -153.9 132.24 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.469 ' HB2' ' CG ' ' A' ' 69' ' ' LEU . 8.8 t80 -118.89 116.76 27.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 11.3 mt -128.02 167.61 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -144.14 146.27 32.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.49 ' CD2' HG21 ' A' ' 58' ' ' ILE . 14.4 p90 -149.64 152.59 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.4 p -103.17 130.5 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 15.2 t -112.0 126.17 28.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.161 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.743 2.295 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -109.96 7.55 31.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.5 t -138.19 178.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.3 109.04 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.77 -151.88 17.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.438 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 58.7 t -122.98 148.85 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.1 m -118.7 142.51 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -108.38 169.03 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 tp -139.63 130.15 25.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.452 ' CD ' HD12 ' A' ' 69' ' ' LEU . 3.7 tppt? -112.26 119.28 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.7 mt -114.07 136.31 53.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.4 m -143.93 144.12 31.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.46 125.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t -47.65 134.9 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -115.84 -35.87 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -40.76 -48.6 3.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.465 HG21 ' N ' ' A' ' 109' ' ' THR . 13.9 p -130.52 143.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.465 ' N ' HG21 ' A' ' 108' ' ' VAL . 79.5 m -57.26 133.53 55.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 112' ' ' ARG . 27.3 m -138.45 177.61 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -61.83 76.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -49.65 -53.96 21.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 114' ' ' GLN . 7.8 ptt-85 -51.93 -48.04 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.41 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 17.6 tp60 -59.22 -64.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.14 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -40.3 -41.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.07 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.51 ' O ' ' CE3' ' A' ' 118' ' ' TRP . 10.6 t90 -54.51 -32.89 58.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 22.0 mt -66.09 -60.61 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.95 70.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.2 tpt -58.47 -47.72 83.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -58.28 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -39.03 -63.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -59.81 -50.86 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.594 ' O ' ' CE1' ' A' ' 130' ' ' TYR . . . -36.99 -46.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 131' ' ' GLU . 3.2 mmmp? -53.31 -44.84 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ALA . 34.3 mt -55.21 -49.42 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 126' ' ' ALA . 10.3 mt -40.0 -61.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 1.5 p90 -96.6 -63.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' LYS . 9.3 mt-10 -67.73 159.45 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 22.6 t 46.85 50.51 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.9 161.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.12 120.4 40.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -71.92 -44.4 63.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 90.0 p -142.53 149.99 39.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.15 -117.13 0.89 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 139' ' ' SER . 54.0 Cg_endo -69.68 -0.47 6.89 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 138' ' ' PRO . 4.9 t -35.38 123.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 t 48.92 48.08 20.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -114.97 -51.05 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -100.85 95.46 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.38 -178.2 15.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -127.02 42.41 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -128.67 144.13 51.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.78 91.42 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . -100.36 76.69 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 8' ' ' ALA . 1.5 pp20? -33.93 -53.38 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -41.43 -55.58 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -72.61 -44.73 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' LEU . 16.0 m-20 -48.89 -63.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -39.81 -43.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.1 -36.98 85.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.474 ' N ' ' O ' ' A' ' 12' ' ' ASP . 72.8 mt -51.63 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -41.96 -43.38 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.42 -53.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.564 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 34.6 mt -58.11 -57.65 11.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -50.91 -52.41 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -43.77 -43.54 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.39 137.69 5.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.521 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -129.04 138.41 51.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 m -70.32 138.61 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.521 ' CD2' ' O ' ' A' ' 22' ' ' ALA . 99.5 m-85 -145.89 153.11 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 105' ' ' VAL . 17.8 mt -87.32 103.79 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.466 HG21 ' CD2' ' A' ' 102' ' ' LEU . 46.9 t -93.82 134.27 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 31' ' ' SER . 2.5 m -111.42 95.85 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -53.05 -178.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 122.39 6.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.36 36.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 27' ' ' THR . 13.2 t -121.87 90.97 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -58.46 -14.97 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -110.91 131.22 22.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.539 0.685 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.86 64.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -122.21 144.89 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -87.63 112.25 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.9 mtp -141.66 148.67 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 m -94.61 121.3 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.28 109.34 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -127.14 166.33 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.4 mt -103.57 152.5 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -69.55 175.34 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -50.48 -42.45 54.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -103.19 20.3 17.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 40.57 44.62 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -104.51 -18.26 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -144.28 152.58 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.25 155.3 20.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.67 148.43 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 62.7 mt -116.52 150.62 37.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -142.39 116.51 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.22 -124.34 1.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -44.55 -47.32 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -147.45 150.17 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -62.21 100.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.9 m-85 -116.83 163.51 16.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -156.55 132.48 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 18.3 mt -113.29 100.03 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -73.03 127.2 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.0 -20.95 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 34.1 m -59.05 -31.01 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.2 m-70 -89.25 -51.97 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 62' ' ' HIS . 16.0 mt -33.83 140.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 t -118.24 -60.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.405 ' C ' HG21 ' A' ' 66' ' ' VAL . 84.8 m -104.37 136.08 44.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.405 HG21 ' C ' ' A' ' 65' ' ' THR . 91.1 t -141.0 106.2 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.449 ' O ' ' NE2' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -134.57 157.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 69' ' ' LEU . 82.7 mt -94.48 135.89 27.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.481 ' CD1' ' HD2' ' A' ' 101' ' ' LYS . 60.4 mt -78.81 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 71.5 p -129.55 117.39 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -46.31 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.87 72.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 20.0 t80 38.95 53.93 4.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 73' ' ' PHE . 53.9 Cg_endo -69.74 158.85 55.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.383 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 143.81 52.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.6 166.12 26.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.72 -68.63 1.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.34 -169.78 6.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.42 83.21 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.19 85.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -56.98 -56.18 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.8 111.34 11.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.1 t -104.72 24.2 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 166.01 169.61 29.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -144.69 155.7 43.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 8.5 t80 -132.92 133.38 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mt -140.11 120.16 13.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -105.35 141.07 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -152.44 142.02 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.1 p -94.19 136.2 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.189 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 79.3 t -107.18 135.25 19.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.325 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.8 37.5 2.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 93.3 m -155.77 157.01 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 111.086 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -102.16 110.38 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.44 -176.73 19.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.409 HG13 ' N ' ' A' ' 98' ' ' THR . 72.0 t -104.94 143.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 99' ' ' GLN . 61.1 m -107.35 142.12 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.451 ' N ' HG23 ' A' ' 98' ' ' THR . 10.0 mt-30 -112.9 157.22 21.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -136.43 117.32 14.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HD2' ' CD1' ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.29 142.96 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD2' HG21 ' A' ' 26' ' ' VAL . 58.7 mt -130.85 139.57 50.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.9 m -142.92 140.76 31.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.413 HG12 ' CG ' ' A' ' 112' ' ' ARG . 89.0 t -69.47 133.03 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 27.1 m -106.93 173.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -130.95 -35.38 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -43.05 -42.97 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.403 ' CG1' ' N ' ' A' ' 109' ' ' THR . 14.4 p -106.04 -46.42 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.403 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 40.9 m -76.75 145.1 38.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.53 15.0 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -155.0 96.86 0.16 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 113' ' ' ARG . 2.9 ttm-85 -54.09 -46.19 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 112' ' ' ARG . 24.2 mtp180 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -44.85 -62.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 118' ' ' TRP . . . -57.56 -61.95 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 58.1 t -39.36 -43.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.45 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.564 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 39.8 t90 -63.69 -44.98 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.429 HD23 ' CE1' ' A' ' 24' ' ' PHE . 13.2 mt -61.0 -52.65 64.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 121' ' ' ALA . 8.1 p -62.06 -41.21 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.422 ' N ' HG12 ' A' ' 120' ' ' VAL . . . -64.59 -40.46 95.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.475 ' O ' ' CB ' ' A' ' 126' ' ' ALA . 10.6 tpt -58.01 -46.09 85.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -61.64 -62.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -51.04 -55.0 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.05 -30.41 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 122' ' ' MET . . . -71.78 -34.93 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' GLU . 5.8 mtmp? -56.9 -59.98 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.5 mt -41.61 -47.97 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.86 -61.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -63.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 127' ' ' LYS . 29.7 mt-10 -39.75 146.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.5 m -166.67 172.21 10.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.65 172.21 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -135.36 157.35 47.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -51.28 -61.33 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.5 m -87.75 169.88 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.87 83.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 140.42 42.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.7 p -58.72 106.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 t 39.0 42.23 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.443 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 p -130.58 -51.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -107.3 104.42 14.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.31 116.98 0.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -80.74 138.38 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 110.893 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -123.82 82.78 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.49 -125.68 0.87 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.6 45.21 8.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -44.24 -39.06 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -44.48 -58.53 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.549 ' CE1' ' CD1' ' A' ' 128' ' ' LEU . 23.9 t80 -62.03 -39.26 91.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -54.57 -39.24 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -55.29 -51.04 67.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 mp0 -58.58 -34.1 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.21 -62.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -53.34 -33.28 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.2 t -75.99 -45.91 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.541 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 13.6 mt -61.42 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 mt -41.5 -47.76 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -43.46 -50.63 6.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.06 137.9 8.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB2' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.51 -176.43 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -110.5 143.06 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 9.8 m-85 -147.95 178.63 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.435 ' HG ' ' CG2' ' A' ' 105' ' ' VAL . 62.9 mt -112.2 108.97 18.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.18 132.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -118.1 129.63 55.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.63 146.6 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.75 -35.15 3.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -82.55 -37.73 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -87.82 100.46 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -13.36 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -109.74 138.18 20.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.51 68.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' A' ' 53' ' ' ASP . 42.7 tt0 -129.88 143.24 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 m -67.57 108.22 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mtt -121.3 172.5 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.7 m -120.57 136.42 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.463 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . 57.6 m -125.83 130.5 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.4 ptt85 -155.29 167.86 28.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.95 169.78 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.5 p -92.84 178.12 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -48.1 -46.95 34.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 45' ' ' GLN . 4.4 m120 -99.47 24.78 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.478 ' C ' ' O ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER 31.29 39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ASN . 44.5 mtp180 -107.57 -2.99 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 54.9 m-85 -148.07 140.59 24.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.0 mt -105.16 143.57 33.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -129.85 154.94 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.1 mt -129.84 160.09 34.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -143.66 132.43 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 156.56 -118.45 0.84 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLY . 8.7 m-20 -37.18 -45.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -167.49 168.4 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.57 105.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -121.45 146.52 46.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -144.05 131.94 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 37.7 mt -125.82 111.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' OE2' ' CD1' ' A' ' 47' ' ' TYR . 0.8 OUTLIER -84.31 140.93 31.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.19 -17.8 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.2 m -73.92 -16.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -101.1 -31.53 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.419 HG21 ' CG2' ' A' ' 66' ' ' VAL . 50.9 mt -56.76 122.08 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.8 m -88.8 -67.16 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 38.4 m -106.98 156.69 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.162 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG12 ' CD2' ' A' ' 87' ' ' LEU . 48.6 t -148.23 106.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.419 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 12.0 pt20 -129.8 155.71 45.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.1 132.15 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.75 145.33 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.4 p -140.91 108.6 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -104.74 117.79 34.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.44 102.71 0.8 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.484 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.4 m-85 -56.68 -60.09 10.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 110.875 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.484 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.73 148.89 66.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 134.57 28.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.38 -44.9 6.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.05 107.2 1.96 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.41 -136.54 3.93 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.01 -61.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.91 111.74 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.466 ' N ' ' HD3' ' A' ' 81' ' ' ARG . 0.2 OUTLIER -70.34 115.13 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.26 118.29 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 19.6 m -118.91 17.96 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.73 -174.57 43.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.3 ttm -151.53 143.58 23.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.43 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 31.8 t80 -130.45 100.03 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.459 ' CD2' HG12 ' A' ' 66' ' ' VAL . 12.3 mt -103.48 151.51 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -126.96 128.32 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -140.69 145.31 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.0 p -97.76 141.96 30.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.61 127.21 27.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.34 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.7 -11.7 85.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 95' ' ' GLU . 22.8 m -123.58 146.65 47.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.417 ' N ' HG23 ' A' ' 94' ' ' THR . 16.7 mp0 -91.57 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.37 -178.01 16.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.16 147.5 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.0 m -123.16 135.67 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.43 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -108.17 154.62 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.84 123.91 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -104.73 135.3 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 51.8 mt -127.81 133.64 49.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -138.07 135.38 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.09 127.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.435 ' CG2' ' HG ' ' A' ' 25' ' ' LEU . 52.6 t -81.2 146.53 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.406 ' N ' HG12 ' A' ' 105' ' ' VAL . 15.7 mt-10 -76.7 -67.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.3 82.52 6.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.6 p -158.33 145.91 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.6 m -40.53 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 22.0 t -39.43 149.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -103.79 178.51 24.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.483 ' O ' ' CG2' ' A' ' 116' ' ' VAL . 11.6 mmt85 -74.68 -38.79 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtt-85 -63.65 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -77.58 -66.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.53 -59.14 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 112' ' ' ARG . 86.2 t -46.62 -44.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.08 -54.36 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 25.7 t90 -52.0 -45.75 64.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 44.2 mt -49.39 -71.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.18 -37.12 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.46 -27.3 47.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.6 tpt -72.87 -64.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -54.61 -41.99 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -63.74 -41.21 98.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.63 67.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.526 ' O ' ' CD1' ' A' ' 130' ' ' TYR . . . -51.61 -33.29 32.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -53.77 -19.63 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.549 ' CD1' ' CE1' ' A' ' 11' ' ' TYR . 14.4 mt -83.64 -51.57 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.2 -22.19 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 126' ' ' ALA . 3.3 m-30 -69.39 -63.17 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -106.27 158.86 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.3 m -126.41 95.32 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.32 170.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -43.07 106.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -38.09 113.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 m -158.0 108.95 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.87 73.33 0.56 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.39 11.03 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 75.0 p -127.99 90.32 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.7 m -112.4 98.4 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -163.27 138.39 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -59.04 -44.22 91.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.85 145.53 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -102.6 -55.76 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -41.55 -56.28 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.27 138.61 8.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.57 82.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -45.33 -49.3 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -44.14 -54.9 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -62.76 -55.51 25.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -37.35 -43.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.408 ' N ' ' HE2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -67.19 -50.74 59.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -47.76 -26.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.97 -69.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.45 -36.99 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 71.2 t -60.11 -50.2 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.532 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.0 mt -63.06 -56.13 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 20' ' ' SER . 73.5 mt -53.9 -52.85 59.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 25.6 t -34.83 -47.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.59 131.74 3.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.409 ' HB1' ' CE2' ' A' ' 24' ' ' PHE . . . -120.73 163.07 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.067 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.422 ' CG2' HG22 ' A' ' 36' ' ' THR . 17.1 m -87.22 147.22 25.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 23' ' ' THR . 66.4 m-85 -157.22 151.0 24.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.464 ' HG ' ' CG1' ' A' ' 105' ' ' VAL . 18.2 mt -89.1 107.57 19.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 88.3 t -95.22 120.74 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -105.67 96.17 6.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 91.3 m-85 -72.14 135.79 46.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.29 -37.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -83.96 -41.05 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' PHE . 21.5 m -75.63 81.87 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -47.64 -32.91 6.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -102.52 135.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 153.66 69.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.5 152.32 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.422 HG22 ' CG2' ' A' ' 23' ' ' THR . 56.1 m -74.8 106.0 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 39.6 mtp -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.4 m -109.28 138.02 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.402 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 84.2 m -126.1 118.27 24.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -139.7 167.78 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.3 mt -103.08 166.74 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -83.34 177.98 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -43.53 -60.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -96.35 23.42 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 68.6 mt-30 46.74 42.89 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -98.02 -25.81 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.64 155.29 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -113.01 142.02 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.967 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.81 149.57 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 9.1 mt -123.26 159.8 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -140.32 116.88 10.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.89 -124.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -46.29 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -152.34 167.14 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -61.36 103.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.3 m-85 -112.96 150.04 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -157.09 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 56.9 mt -104.75 100.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 18.8 mp0 -65.74 114.39 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 79.1 mt -48.07 -38.13 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.3 m -50.69 -31.59 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -82.49 -41.59 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.437 HG23 ' CG2' ' A' ' 66' ' ' VAL . 67.5 mt -49.26 128.39 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -101.33 -54.95 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.2 m -103.94 146.76 28.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' HG23 ' A' ' 63' ' ' ILE . 73.6 t -146.96 105.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -136.9 160.77 37.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.0 mt -102.35 137.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.1 mt -89.84 133.13 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 p -142.06 116.38 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.46 -37.39 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.57 112.52 1.6 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -73.24 134.5 80.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 119.71 6.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -23.58 30.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.78 -67.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.04 -150.37 5.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.3 -75.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -145.48 149.99 35.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.54 150.82 43.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -166.45 167.91 15.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.53 117.2 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.3 p -92.55 -39.2 11.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -143.69 -171.25 13.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -141.94 146.88 36.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -128.46 121.27 28.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.76 138.67 47.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.64 135.65 53.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -154.1 154.81 34.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.1 p -109.45 131.21 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.63 130.19 56.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.734 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 91.42 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.757 2.305 . . . . 0.0 112.35 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.02 17.88 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -140.4 175.09 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.1 144.38 41.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.63 -173.4 45.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 98' ' ' THR . 46.7 t -122.2 141.11 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.463 ' N ' HG13 ' A' ' 97' ' ' VAL . 59.4 m -107.62 129.13 55.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.1 140.33 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 10.3 tp -106.06 150.74 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 45.8 tttm -132.95 123.11 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.411 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 34.8 mt -113.91 144.2 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.1 m -143.23 154.35 43.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.405 HG12 ' N ' ' A' ' 105' ' ' VAL . 85.8 t -73.05 135.95 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.464 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m -104.83 144.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -99.75 95.92 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.46 -47.17 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 109' ' ' THR . 12.0 p -106.96 156.13 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' VAL . 25.2 p -34.12 -47.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.9 p -157.57 121.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -163.46 38.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 18.5 ttt180 -78.38 -45.65 21.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -38.21 -45.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -53.93 -63.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.97 -59.21 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 38.6 t -44.9 -48.23 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.424 ' O ' ' CG1' ' A' ' 120' ' ' VAL . . . -53.06 -51.03 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.532 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 45.7 t90 -56.79 -42.94 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.8 mt -59.86 -52.83 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.461 ' CG2' ' HE3' ' A' ' 124' ' ' LYS . 5.7 p -63.07 -40.65 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.425 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -66.56 -39.36 88.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.3 tpt -61.86 -54.46 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -59.36 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.461 ' HE3' ' CG2' ' A' ' 120' ' ' VAL . 28.7 mttt -43.58 -59.4 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -55.58 -50.09 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -34.45 -48.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.565 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . 94.9 mttt -41.14 -53.52 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.2 mt -38.5 -53.15 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.6 mt -40.07 -58.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -95.58 -63.22 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 127' ' ' LYS . 55.6 mt-10 -46.62 -23.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.2 t -132.12 53.58 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -44.61 157.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.03 158.14 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -94.14 -49.27 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.3 m -130.54 158.44 39.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -161.92 -154.21 7.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -177.57 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 84.5 p -91.5 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.0 t -63.36 153.77 34.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -123.46 154.52 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -148.84 136.1 20.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.77 85.26 1.43 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -65.15 161.58 18.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -98.11 124.04 42.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.48 69.09 1.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.53 88.06 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -81.74 -32.56 31.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -59.82 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -59.46 -14.65 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.03 -20.83 21.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -89.17 -24.24 22.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 4.5 pp0? -88.89 -39.82 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.23 -43.45 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.5 pttp -54.1 -33.04 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 94.8 t -75.19 -40.33 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.545 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 21.4 mt -61.44 -59.34 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.446 HD11 ' CD1' ' A' ' 15' ' ' LEU . 96.9 mt -48.37 -60.47 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 5.6 t -34.47 -42.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.35 137.86 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' CE2' ' A' ' 24' ' ' PHE . . . -134.9 173.4 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.43 HG23 ' N ' ' A' ' 24' ' ' PHE . 7.9 m -87.92 147.8 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.43 ' N ' HG23 ' A' ' 23' ' ' THR . 20.5 m-85 -155.35 156.25 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.445 ' HG ' ' CG2' ' A' ' 105' ' ' VAL . 35.9 mt -96.01 106.14 18.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 43.0 t -93.87 130.53 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.27 108.56 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' SER . 57.3 m-85 -77.9 139.5 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -36.07 -40.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.29 -41.8 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 m -73.09 119.43 17.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.51 -21.2 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -110.27 133.52 21.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 144.83 55.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -124.58 149.83 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -69.51 112.58 6.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 22.5 mtp -132.23 151.27 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 m -101.92 124.98 48.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.08 118.71 34.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.61 161.7 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mt -103.95 132.36 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.472 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 4.7 t -63.12 173.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -52.62 -40.04 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.76 -17.7 60.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 54.76 39.97 31.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -121.43 -19.73 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -123.91 140.99 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 mt -101.39 133.04 46.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.472 ' CE2' ' HB2' ' A' ' 42' ' ' SER . 12.8 m-85 -112.47 153.93 26.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.0 mt -133.82 134.06 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -117.07 132.62 56.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 157.88 -133.12 3.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER -35.49 -45.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -152.69 -179.02 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -87.67 85.08 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.425 ' C ' ' OE1' ' A' ' 57' ' ' GLU . 13.3 m-85 -95.08 145.68 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 41.0 mp0 -146.95 123.36 11.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.569 HG23 ' CD2' ' A' ' 89' ' ' TYR . 22.8 mt -111.97 100.08 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -67.35 127.73 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.9 mt -58.88 -30.77 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -52.06 -27.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -91.64 -45.38 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mt -43.2 128.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -107.69 -50.72 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.4 m -104.65 131.33 52.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG11 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -134.3 102.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.454 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 15.4 pt20 -131.32 159.29 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.6 mt -104.9 137.17 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.4 mt -90.9 127.39 36.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 61.1 p -132.69 119.88 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -73.79 123.9 25.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.28 118.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -106.58 141.04 21.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.79 59.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -25.47 28.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.99 -60.46 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.49 166.37 11.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.22 -49.58 0.77 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -122.99 94.56 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.38 84.53 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.67 103.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.78 85.27 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.6 p -83.94 33.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 157.38 -172.45 34.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.431 ' HE3' ' CG ' ' A' ' 122' ' ' MET . 3.0 ttt -156.85 128.66 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.454 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 28.6 t80 -109.25 122.25 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' CD2' HG11 ' A' ' 66' ' ' VAL . 9.0 mt -128.1 168.54 15.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -145.84 131.94 19.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.569 ' CD2' HG23 ' A' ' 58' ' ' ILE . 19.4 p90 -140.72 167.07 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -121.5 133.48 55.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.46 ' HB ' ' CG2' ' A' ' 94' ' ' THR . 9.2 t -100.26 128.92 29.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.01 2.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.336 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -127.6 17.99 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 1.6 t -141.37 160.97 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.144 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -102.46 111.16 23.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.64 -165.09 12.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.68 152.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.409 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 56.9 m -122.33 136.64 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -111.79 148.38 33.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 11.2 tp -119.07 139.38 51.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -121.46 131.08 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.433 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 24.3 mt -122.06 148.02 45.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.4 m -142.83 164.47 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 13.8 t -97.44 135.09 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.445 ' CG2' ' HG ' ' A' ' 25' ' ' LEU . 22.0 t -125.83 152.48 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.09 -30.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -54.61 -44.21 72.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.431 ' CG1' ' N ' ' A' ' 109' ' ' THR . 14.0 p -73.99 -47.85 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.431 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 12.9 p -154.94 130.81 10.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.1 t -70.88 89.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.69 47.09 0.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -69.86 -38.05 76.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.9 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -42.63 99.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -70.42 -55.21 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.01 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.49 -41.69 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.61 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.545 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 36.9 t90 -67.91 -44.59 76.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 23.8 mt -60.03 -61.69 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 121' ' ' ALA . 7.2 p -47.98 -45.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.454 ' N ' HG11 ' A' ' 120' ' ' VAL . . . -65.68 -42.12 91.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.431 ' CG ' ' HE3' ' A' ' 85' ' ' MET . 10.6 tpt -50.83 -51.24 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -65.83 -60.83 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -40.0 -47.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.42 -41.11 69.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.09 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.06 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.45 -32.36 42.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.2 -60.6 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.66 -55.19 5.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -101.13 165.98 11.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 p -163.58 163.11 24.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -142.95 153.64 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -96.75 -51.11 4.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -141.61 156.36 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.3 m -113.42 42.93 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.42 83.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.529 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.96 15.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.618 2.212 . . . . 0.0 112.368 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.2 m -41.24 158.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m 55.51 51.72 12.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -160.25 153.65 22.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLY . 34.7 m -63.84 159.65 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.16 -145.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.509 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -78.44 175.17 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -140.89 147.43 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.43 -105.18 3.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.62 49.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.5 -6.51 46.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.5 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 30.3 t80 -74.56 -44.93 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.443 ' O ' ' N ' ' A' ' 13' ' ' LYS . 14.1 m-85 -95.7 -37.92 10.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.446 ' N ' HD13 ' A' ' 15' ' ' LEU . 2.6 m-20 -42.72 -22.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 5.5 ptpt -68.27 -48.13 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.502 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 1.5 pp0? -88.17 -45.12 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.502 ' N ' ' CD ' ' A' ' 14' ' ' GLN . 23.7 mt -40.96 -53.79 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -56.39 -37.9 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.4 t -66.32 -45.54 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.566 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 15.0 mt -62.26 -51.37 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.5 -60.28 3.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -42.92 -44.45 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.43 134.22 6.13 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.01 -178.69 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 m -107.71 148.8 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -156.94 168.53 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 36.2 mt -106.62 103.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -92.64 134.38 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 m -118.16 120.72 38.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -90.22 141.09 29.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -38.52 -41.75 1.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -77.46 -48.8 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -76.2 99.42 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.28 -23.69 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -96.19 135.66 22.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 148.6 65.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -122.94 144.63 49.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.0 m -76.33 104.82 7.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 33.0 mtp -118.42 174.06 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.6 m -125.44 128.23 47.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.168 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.2 m -111.48 140.86 45.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -155.26 164.58 38.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.11 162.31 13.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -72.79 172.8 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -49.91 -43.25 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -103.73 22.68 14.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 42.5 41.39 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -100.13 -17.93 17.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD1' ' OE1' ' A' ' 59' ' ' GLU . 92.8 m-85 -145.85 149.26 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -100.09 147.51 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.83 141.31 42.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.1 mt -106.76 159.59 16.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.05 118.74 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 176.11 -134.88 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' GLY . 1.9 p-10 -37.87 -41.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.65 162.26 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -72.4 126.59 30.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -149.81 154.74 38.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.962 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.2 pm0 -155.9 136.91 13.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.471 HG22 ' CD2' ' A' ' 89' ' ' TYR . 10.9 mt -120.7 108.45 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' OE1' ' CD1' ' A' ' 47' ' ' TYR . 9.7 mm-40 -67.13 133.49 49.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 62.0 mt -64.31 -12.38 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.7 m -76.73 -33.84 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -80.93 -28.03 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.8 mt -63.53 134.73 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -112.39 -55.4 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -104.55 141.42 36.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.79 110.26 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -139.11 160.26 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.4 HD13 ' CB ' ' A' ' 123' ' ' HIS . 51.5 mt -105.58 138.73 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.36 124.19 36.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 23.2 p -132.08 120.45 22.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 0.6 OUTLIER -49.95 179.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.439 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 93.54 78.05 1.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.471 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 2.1 m-85 -47.47 -60.37 4.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.664 0.745 . . . . 0.0 110.877 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.471 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.3 Cg_endo -69.81 168.14 22.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -33.82 15.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.21 -147.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.6 -59.41 3.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.22 62.46 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -62.2 143.09 57.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.52 64.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -140.44 127.96 21.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.01 128.59 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.3 p -100.03 -27.3 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -157.05 -177.48 30.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.1 ttm -141.74 145.78 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 37.1 t80 -123.89 129.66 51.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -135.15 151.12 50.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -128.11 135.76 50.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.471 ' CD2' HG22 ' A' ' 58' ' ' ILE . 5.7 p90 -152.72 146.38 25.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.5 p -98.78 140.2 33.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 91.9 t -92.86 138.81 23.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.68 0.753 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.78 126.75 13.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 2.223 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 -30.16 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 95' ' ' GLU . 51.8 m -90.67 137.51 32.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.163 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.428 ' N ' HG23 ' A' ' 94' ' ' THR . 13.0 mt-10 -91.29 113.88 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 166.11 11.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.3 t -108.57 137.72 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.8 m -110.19 136.18 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.493 ' CD ' ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -105.04 158.84 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.3 tp -136.94 124.16 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -104.38 145.42 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.497 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 57.8 mt -131.52 129.4 41.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.409 HG21 ' N ' ' A' ' 104' ' ' VAL . 91.0 m -137.22 143.24 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.409 ' N ' HG21 ' A' ' 103' ' ' THR . 97.0 t -76.11 132.65 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.409 HG23 ' N ' ' A' ' 106' ' ' GLU . 9.9 p -99.26 157.86 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.409 ' N ' HG23 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -105.02 139.11 40.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.1 -175.15 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.92 -18.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' VAL . 1.6 m -69.68 -33.97 73.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.426 ' C ' ' O ' ' A' ' 109' ' ' THR . 18.3 m 35.92 38.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -96.49 44.99 1.92 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 114' ' ' GLN . 12.0 mtm180 -51.33 -49.67 60.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -40.14 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' ARG . 30.0 tp60 -74.75 -64.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.01 -57.84 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.72 -38.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.5 -62.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.566 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 26.5 t90 -40.74 -30.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.84 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.04 -37.33 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.427 ' CB ' ' HB2' ' A' ' 14' ' ' GLN . . . -65.82 -34.18 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.47 -54.07 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.4 ' CB ' HD13 ' A' ' 68' ' ' ILE . 28.6 t-80 -63.8 -48.34 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -52.26 -41.44 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.3 40.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.08 -27.08 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 131' ' ' GLU . 8.4 mtpm? -61.04 -56.23 23.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.98 -29.62 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.73 -40.72 79.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -102.14 -63.05 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 127' ' ' LYS . 14.0 mm-40 -48.49 -25.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 t -132.45 170.53 14.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -120.5 -179.24 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.31 -55.53 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -67.09 109.91 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.9 m -139.03 172.0 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 137.35 67.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 155.35 66.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.4 p -64.27 133.44 52.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.4 p -128.09 128.42 44.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -133.32 116.75 16.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -150.66 146.28 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.43 -42.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -87.56 122.56 31.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -82.95 99.09 9.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.76 -49.01 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -84.8 75.58 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.715 0.293 . . . . 0.0 111.094 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' PHE . 2.9 pt-20 -47.73 -58.06 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' GLU . 2.8 t80 -36.98 -57.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.452 ' O ' ' N ' ' A' ' 13' ' ' LYS . 40.4 m-85 -56.82 -58.19 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -38.33 -29.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' TYR . 18.5 mmtp -86.32 -44.92 11.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' O ' ' CG ' ' A' ' 18' ' ' LEU . 31.4 mt-30 -59.47 -18.53 40.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.496 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.85 -43.63 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 10.7 ptpt -75.71 -39.73 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.452 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 84.2 t -68.45 -40.93 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.53 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.5 mt -61.83 -61.82 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -46.23 -50.86 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -40.62 -54.91 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.82 145.21 18.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -132.96 155.67 48.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.11 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -87.96 144.85 26.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -153.66 175.6 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.3 mt -104.44 112.48 25.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -102.54 135.13 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -124.72 108.65 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -84.86 169.56 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.53 92.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -78.12 -42.82 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -80.29 119.05 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.2 -30.72 34.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -102.62 139.05 19.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 143.33 50.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -121.0 146.97 46.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 m -69.59 106.92 3.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 mtt -121.39 176.74 5.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.0 m -126.4 127.88 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.1 m -118.11 117.46 29.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -140.97 163.39 33.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.7 mt -102.98 129.62 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.56 168.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -51.79 -34.52 40.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.93 -20.14 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 56.67 40.12 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -126.38 -2.43 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -146.5 145.48 30.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.03 144.96 29.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -133.3 146.26 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.4 mt -118.66 155.54 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -149.56 133.41 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 159.12 -131.22 2.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' GLY . 28.5 t70 -35.48 -48.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -150.1 168.95 22.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 5.9 p80 -71.92 122.3 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -138.88 150.58 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -149.87 126.45 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.66 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -66.32 113.03 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.409 HG21 ' N ' ' A' ' 62' ' ' HIS . 33.6 m -61.11 -28.78 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.409 ' N ' HG21 ' A' ' 61' ' ' VAL . 8.0 m170 -85.19 -41.9 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 66' ' ' VAL . 50.1 mt -45.95 119.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -92.82 -59.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -104.01 146.38 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 63' ' ' ILE . 66.6 t -142.03 105.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -135.85 146.44 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.434 HD11 ' CB ' ' A' ' 123' ' ' HIS . 90.1 mt -102.67 136.03 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.4 mt -85.79 122.76 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 p -118.28 113.48 21.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -84.61 -57.13 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.15 -70.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -43.13 118.58 2.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.97 13.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -15.37 36.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.637 2.225 . . . . 0.0 112.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.07 69.29 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.08 49.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.445 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.79 115.48 4.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.84 107.3 14.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.7 155.72 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -80.17 -56.72 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.08 116.02 28.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.8 m -94.23 -37.36 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -147.2 178.55 24.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.3 ttm -140.22 155.44 46.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.824 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 28.1 t80 -133.08 146.15 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 86' ' ' PHE . 11.1 mt -151.2 140.77 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -122.63 128.85 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -145.01 175.05 10.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.1 p -120.28 143.31 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.471 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 84.4 t -90.72 138.67 26.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.99 27.61 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.442 HG21 ' N ' ' A' ' 95' ' ' GLU . 57.9 m -145.37 139.82 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.757 0.313 . . . . 0.0 111.161 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . 0.442 ' N ' HG21 ' A' ' 94' ' ' THR . 9.7 pt-20 -90.3 114.38 26.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 174.35 13.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.7 t -120.64 133.71 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.5 m -105.66 135.41 47.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.486 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -113.62 143.26 44.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.6 tp -113.18 158.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -137.98 135.71 36.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.1 mt -127.44 131.98 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -143.66 150.9 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -76.79 122.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 m -54.25 145.37 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -85.04 40.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' VAL . 38.5 m-20 -99.48 159.15 15.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' ASP . 10.3 p -34.67 146.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.5 p -58.05 123.17 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 m -128.09 -40.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.92 54.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -54.89 -53.32 57.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -50.07 -41.83 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -57.35 -62.02 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.33 -68.05 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.6 t -39.9 -40.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -51.51 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.535 ' CH2' ' HG3' ' A' ' 122' ' ' MET . 16.7 t90 -62.63 -28.92 70.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 67.3 mt -61.13 -60.64 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.42 -34.1 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.85 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.535 ' HG3' ' CH2' ' A' ' 118' ' ' TRP . 1.2 tmt? -43.68 -68.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.434 ' CB ' HD11 ' A' ' 68' ' ' ILE . 0.3 OUTLIER -42.02 -62.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.6 mttp -40.47 -39.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -77.92 -41.51 36.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.505 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -42.27 -29.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -81.66 -33.11 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.498 ' N ' ' O ' ' A' ' 125' ' ' ALA . 3.6 mm? -55.9 -39.58 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.82 -56.9 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -69.22 -61.23 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.89 -39.49 65.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m 62.83 31.6 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -122.19 109.21 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.04 42.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -60.2 171.85 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t -86.18 42.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.786 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.2 161.76 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 139' ' ' SER . 54.0 Cg_endo -69.74 178.9 4.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 140' ' ' SER . 5.7 m -35.31 132.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 139' ' ' SER . 35.3 t -34.97 -55.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -120.0 138.48 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 59.9 m -76.6 -49.99 14.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.02 113.83 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.65 116.24 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -101.64 151.29 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.69 -41.09 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 81.28 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.41 -46.48 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -47.86 -49.27 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -70.06 -28.3 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.12 -22.65 60.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.3 mtpp -86.77 -26.24 24.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -81.57 -41.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' A' ' 16' ' ' LYS . 3.5 pp -66.22 -45.48 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.578 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 15.5 pttp -60.64 -43.87 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.421 ' N ' ' CG ' ' A' ' 16' ' ' LYS . 76.3 t -64.91 -42.67 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.506 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 76.4 mt -63.5 -63.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -46.35 -48.15 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 t -42.07 -36.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.94 135.02 2.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.441 ' HB1' ' CZ ' ' A' ' 24' ' ' PHE . . . -128.49 157.37 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -89.2 142.34 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.441 ' CZ ' ' HB1' ' A' ' 22' ' ' ALA . 48.3 m-85 -154.28 161.86 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.465 ' CD2' ' HB2' ' A' ' 34' ' ' PRO . 13.7 mt -97.6 119.6 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.8 t -104.66 122.1 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.32 116.32 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.02 135.42 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.63 -33.1 1.45 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 32.3 t-20 -73.9 -46.83 42.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -89.02 131.07 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.05 -25.56 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -105.31 138.99 19.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.465 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.82 170.3 16.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -141.72 143.32 33.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.8 m -66.29 112.01 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 41.7 mtp -131.16 149.33 52.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -99.19 124.1 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 27.1 m -109.68 119.11 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -138.79 161.85 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.8 mt -105.01 165.02 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -75.78 175.29 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -44.01 -55.96 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -99.68 19.16 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 53.12 48.11 22.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.513 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 47.2 mtp180 -97.83 -10.33 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 46' ' ' ARG . 9.9 m-85 -159.44 153.88 24.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.05 149.55 23.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.05 134.4 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 34.9 mt -112.91 157.81 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -138.64 144.21 39.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 148.62 -132.46 4.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' GLY . 14.6 m-20 -36.34 -49.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -148.08 178.76 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -83.41 99.24 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -110.99 152.45 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -155.21 122.39 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.404 ' CD1' HD22 ' A' ' 100' ' ' LEU . 57.1 mt -101.27 99.94 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.435 ' HB3' ' CG2' ' A' ' 61' ' ' VAL . 41.0 mt-10 -64.48 118.97 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.1 mt -54.22 -26.63 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 59' ' ' GLU . 18.0 m -61.88 -18.05 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -99.17 -35.52 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG21 ' CG2' ' A' ' 66' ' ' VAL . 62.9 mt -53.43 134.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.3 m -105.56 -63.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.0 m -104.08 139.53 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.456 HG13 ' CD2' ' A' ' 87' ' ' LEU . 86.3 t -134.97 100.97 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -126.38 159.41 33.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 69' ' ' LEU . 80.3 mt -108.58 142.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.43 ' N ' HG23 ' A' ' 68' ' ' ILE . 84.4 mt -89.17 101.71 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 p -109.05 148.09 31.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.83 -38.59 82.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.49 101.56 2.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.626 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 1.3 t80 -59.99 -52.27 74.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.626 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 54.1 Cg_endo -69.72 148.68 65.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -178.42 2.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.9 -157.27 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.39 -92.22 1.07 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -146.61 -134.35 2.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -87.48 122.97 31.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.35 126.13 34.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -113.15 91.52 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 105.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -92.58 24.64 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 161.99 -170.14 37.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.6 ttt -148.44 151.19 34.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -129.83 113.55 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.456 ' CD2' HG13 ' A' ' 66' ' ' VAL . 6.7 mt -119.46 152.76 36.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -126.94 140.83 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.457 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 16.0 p90 -154.43 168.39 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.9 p -116.94 143.0 46.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.457 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 98.4 t -119.1 138.94 26.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.676 0.75 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.457 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 54.1 Cg_endo -69.75 130.65 19.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.4 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.56 -49.0 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -76.36 171.51 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 111.123 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.68 125.37 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.38 -161.25 13.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 98' ' ' THR . 85.3 t -124.62 138.15 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 111.117 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.457 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 92.7 m -100.35 152.34 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -125.32 151.4 46.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.404 HD22 ' CD1' ' A' ' 58' ' ' ILE . 5.0 tp -124.53 117.41 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 52.3 tttt -98.19 132.54 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.474 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 73.8 mt -118.91 137.76 53.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.3 m -141.32 132.0 25.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 69.9 t -67.84 130.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.99 140.93 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -72.42 113.18 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -130.45 -42.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -135.31 148.5 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.3 m -41.71 -69.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.414 ' O ' ' CG2' ' A' ' 110' ' ' VAL . 26.8 m -91.42 96.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.22 -45.23 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.535 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.441 ' O ' ' CG2' ' A' ' 116' ' ' VAL . 13.0 mmt180 -40.04 -41.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -49.79 -53.97 22.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -60.85 -66.23 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.71 -59.14 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 112' ' ' ARG . 98.9 t -47.55 -51.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.71 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.506 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 27.7 t90 -54.75 -40.92 69.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 66.5 mt -61.91 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.66 -38.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.84 41.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 15.4 tpt -47.9 -45.02 30.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.409 ' ND1' ' C ' ' A' ' 123' ' ' HIS . 1.3 t-80 -67.15 -47.13 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -53.22 -54.89 29.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -53.0 58.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -37.38 -33.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -60.53 -54.39 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.68 -45.11 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.02 -53.14 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.47 -62.59 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -63.18 177.17 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -79.2 162.62 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.88 126.42 52.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -104.16 126.15 51.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -56.44 117.33 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 t -94.46 152.75 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.31 82.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 178.2 4.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.6 t -135.49 108.94 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 34.2 t -83.98 106.56 15.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -165.48 160.09 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -116.82 151.61 36.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.827 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.9 131.36 10.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -44.4 164.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -116.89 145.96 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.95 72.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.27 93.13 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.167 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -75.91 -39.06 57.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -51.84 -43.67 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' GLN . 10.6 m-85 -77.63 -42.42 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -42.03 -32.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -68.25 -39.25 82.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' TYR . 67.5 mt-30 -79.09 -38.01 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.6 mt -50.18 -58.81 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 12.5 pttp -52.41 -38.11 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 54.6 t -69.64 -37.81 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.562 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 12.4 mt -70.52 -66.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -48.69 -43.07 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -46.29 -52.67 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.53 154.57 27.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.447 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' HB2' ' CZ ' ' A' ' 24' ' ' PHE . . . -142.62 179.94 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 m -105.6 135.88 46.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.492 ' CE2' HD21 ' A' ' 119' ' ' LEU . 6.3 m-85 -148.26 172.48 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 105' ' ' VAL . 13.8 mt -103.63 113.8 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 52.4 t -100.78 129.57 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 126.62 55.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -97.43 140.38 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.68 -27.84 2.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -80.1 -45.9 17.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 98.7 p -92.85 131.87 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -13.27 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -101.79 129.34 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.421 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.79 150.6 68.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -128.33 142.26 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -70.41 105.1 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mtp -120.59 175.55 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -119.86 128.0 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.8 122.97 42.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 161.32 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 7.3 mt -102.88 121.69 43.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.02 177.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -42.89 135.32 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.9 t-20 51.72 25.02 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.449 ' CG ' ' O ' ' A' ' 44' ' ' ASN . 24.2 pt20 44.13 45.15 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 14.3 mmm180 -93.51 -4.27 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 90.5 m-85 -157.85 161.59 38.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.7 mt -119.94 133.34 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -119.24 151.95 37.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.4 mt -125.6 158.91 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -141.49 136.94 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . . . 158.34 -151.38 22.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' GLY . 4.9 m-20 -36.39 -31.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 52' ' ' GLY . 19.9 m -152.4 143.74 23.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -77.38 107.74 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -104.03 168.91 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -148.47 116.31 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 44.1 mt -113.54 100.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 2.1 pm0 -78.53 122.25 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.2 mt -50.18 -33.25 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 18.3 m -52.66 -28.41 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -89.65 -48.93 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG22 ' CG2' ' A' ' 66' ' ' VAL . 33.9 mt -38.05 128.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -100.63 -61.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -103.96 149.14 25.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.444 ' CG2' HG22 ' A' ' 63' ' ' ILE . 85.7 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -135.33 159.15 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 49.1 mt -108.35 135.17 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.81 128.53 34.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.8 p -134.4 117.68 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -133.32 102.94 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.08 84.13 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CB ' ' CD ' ' A' ' 74' ' ' PRO . 4.6 m-85 -48.17 -61.46 3.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 73' ' ' PHE . 54.1 Cg_endo -69.8 149.67 66.92 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 158.01 58.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.99 -99.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.77 -54.01 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.05 -106.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -47.39 166.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.48 38.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 42.06 35.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -99.36 103.27 15.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.111 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.2 p -85.97 -25.59 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -171.82 -159.88 19.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.3 ttm -150.49 157.55 43.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.48 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 23.8 t80 -128.32 142.66 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.407 ' HG ' ' C ' ' A' ' 86' ' ' PHE . 4.6 mt -148.21 142.87 26.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -124.51 131.57 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -145.91 171.4 14.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.6 p -119.31 145.59 46.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 58.1 t -104.71 133.84 19.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.154 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 95.06 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.349 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.41 10.11 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -124.09 162.99 22.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 111.123 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -106.35 110.63 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.88 -169.96 13.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.19 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.6 m -109.26 131.89 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 16.7 pt20 -104.13 164.8 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.9 tp -140.6 138.62 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -118.07 127.53 53.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 91.3 mt -117.39 136.89 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -140.1 145.57 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 105' ' ' VAL . 33.5 t -71.24 148.36 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 25' ' ' LEU . 16.4 m -141.71 144.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -125.71 49.57 1.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.34 -36.2 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.65 -28.06 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.3 m -150.39 143.36 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.83 100.88 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 174.51 63.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 18.2 mtt85 -43.39 -42.85 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 41.9 mtt180 -37.5 -49.51 1.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -49.37 -68.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . 0.462 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -56.05 -57.66 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 82.0 t -42.55 -47.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.15 81.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.562 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 12.1 t90 -65.89 -30.67 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.492 HD21 ' CE2' ' A' ' 24' ' ' PHE . 65.7 mt -66.4 -48.51 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.415 HG11 ' N ' ' A' ' 121' ' ' ALA . 3.0 p -76.8 -35.43 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' N ' HG11 ' A' ' 120' ' ' VAL . . . -61.87 -46.81 87.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 123' ' ' HIS . 1.1 tmt? -50.0 -68.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' MET . 0.9 OUTLIER -37.8 -69.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.461 ' HE3' ' N ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -42.86 -35.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.37 -41.66 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.96 -35.47 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.16 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.19 -34.66 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.39 -49.72 70.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.4 OUTLIER -83.6 -53.29 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -105.6 166.82 10.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.3 p -157.03 152.08 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -112.29 146.08 38.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.95 -55.12 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.38 114.46 26.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.1 m -49.38 -65.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.0 74.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 139' ' ' SER . 53.4 Cg_endo -69.81 -3.48 12.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.31 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 138' ' ' PRO . 34.7 m -35.6 -44.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.2 p -41.42 143.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -157.51 128.93 6.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 p -114.28 87.16 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.37 144.4 47.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.55 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -61.9 145.65 52.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -42.55 -44.22 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.67 -179.09 37.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.41 42.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 111.129 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -41.47 -42.9 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -55.45 -53.5 55.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.529 ' CE1' HD11 ' A' ' 128' ' ' LEU . 12.6 m-85 -61.51 -46.47 89.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -41.76 -45.62 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -49.92 -38.98 38.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' LEU . 2.0 mp0 -84.39 -49.18 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' GLN . 82.8 mt -34.2 -61.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -48.19 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.5 t -52.25 -44.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.439 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 17.7 mt -64.42 -63.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 mt -46.55 -45.08 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -43.26 -45.42 5.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.68 130.96 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.545 ' HB2' ' CZ ' ' A' ' 24' ' ' PHE . . . -120.08 164.25 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 39.5 m -95.22 147.03 23.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.545 ' CZ ' ' HB2' ' A' ' 22' ' ' ALA . 34.7 m-85 -159.88 171.93 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.0 mt -109.59 123.49 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 HG11 ' CZ ' ' A' ' 28' ' ' PHE . 65.1 t -108.53 127.82 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -110.7 109.15 19.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 51.6 m-85 -87.43 139.71 30.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.24 -39.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -79.17 -59.54 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.63 97.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.61 -20.55 65.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -109.6 134.47 20.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 134.16 27.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -108.76 151.59 26.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -79.69 106.91 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.2 mtp -122.71 156.22 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -103.24 123.81 47.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 t -104.17 122.76 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -142.53 167.26 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.9 mt -108.98 157.29 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.42 166.91 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -46.84 -44.43 19.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.31 5.15 48.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 55.69 52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' CG ' ' A' ' 47' ' ' TYR . 6.5 mmm180 -108.03 -7.54 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' CG ' ' C ' ' A' ' 46' ' ' ARG . 8.3 m-85 -155.97 170.27 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.9 mt -116.6 140.98 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -124.48 150.51 45.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 16.9 mt -127.79 147.07 50.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.48 118.31 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.37 -124.47 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -41.62 -48.55 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -152.6 164.56 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -69.03 96.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -109.42 149.57 29.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -149.89 117.61 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.459 ' CD1' HD21 ' A' ' 100' ' ' LEU . 35.4 mt -100.07 103.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -69.61 122.92 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.0 -40.45 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 17.3 m -47.63 -27.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.47 -47.11 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.443 HG22 ' CG2' ' A' ' 66' ' ' VAL . 32.7 mt -42.04 131.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -105.69 -57.1 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -103.96 145.85 29.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.443 ' CG2' HG22 ' A' ' 63' ' ' ILE . 93.3 t -147.52 107.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.29 160.73 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.448 HG21 ' N ' ' A' ' 69' ' ' LEU . 73.3 mt -100.95 137.58 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.448 ' N ' HG21 ' A' ' 68' ' ' ILE . 76.2 mt -84.45 136.15 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -139.76 124.57 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.36 -44.21 79.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.42 -128.5 6.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -59.89 131.98 89.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.72 33.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.3 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.92 15.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.26 -68.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.27 82.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.45 -154.73 26.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -55.0 117.57 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.03 86.0 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -74.13 81.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.98 128.08 33.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.5 m -105.28 -39.09 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -150.68 -161.32 9.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.0 tpt -144.87 153.22 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -133.36 107.58 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.43 ' CD2' HG12 ' A' ' 66' ' ' VAL . 6.6 mt -120.59 124.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -101.57 154.31 18.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -169.76 163.4 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 69.2 p -109.91 161.39 15.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.1 t -125.18 131.15 24.01 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 0.0 111.166 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 107.13 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.32 -41.49 1.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.7 t -87.69 166.79 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 111.123 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -111.08 118.7 36.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.28 -166.17 14.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 98' ' ' THR . 90.0 t -126.41 142.66 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.386 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.416 ' N ' HG12 ' A' ' 97' ' ' VAL . 89.0 m -107.3 147.11 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.87 153.68 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.459 HD21 ' CD1' ' A' ' 58' ' ' ILE . 5.0 tp -126.66 139.1 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -120.53 127.96 52.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 86.5 mt -115.2 141.03 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.0 m -129.73 145.27 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.98 134.54 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.1 t -121.41 144.62 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -95.58 120.33 35.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.819 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -148.81 176.84 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.425 HG21 ' N ' ' A' ' 109' ' ' THR . 28.5 m -37.54 -38.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 110' ' ' VAL . 39.9 p -51.89 153.92 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.177 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 109' ' ' THR . 10.8 p -34.11 -40.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 124.89 -148.76 16.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 13.8 ttt180 -48.7 -45.01 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 0.0 110.857 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 10.0 mpt_? -38.16 -47.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.79 -60.81 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.74 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 89.8 t -44.0 -51.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.21 -38.81 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.439 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 35.6 t90 -76.93 -47.04 22.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 72.3 mt -52.49 -48.56 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 121' ' ' ALA . 12.6 p -72.04 -27.49 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.464 ' N ' HG12 ' A' ' 120' ' ' VAL . . . -64.67 -50.67 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.4 tpt -56.27 -52.09 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -56.39 -34.32 66.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -72.41 -48.47 41.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -63.63 -55.42 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.13 -40.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 131' ' ' GLU . 86.0 mttt -54.9 -49.31 71.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.529 HD11 ' CE1' ' A' ' 11' ' ' TYR . 42.5 mt -56.3 -43.82 79.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.44 -55.14 23.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -82.2 -62.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 127' ' ' LYS . 22.7 mt-10 -69.48 175.95 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.6 m -117.65 -50.14 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -131.54 138.4 48.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -123.64 131.39 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -72.22 83.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.8 p -102.4 123.76 46.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 77.62 83.57 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 94.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 m 52.57 46.4 26.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.9 t -62.97 -60.4 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -72.56 82.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -54.96 148.48 13.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.12 61.88 3.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -84.61 173.52 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -83.51 145.79 28.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.08 146.09 12.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.71 94.13 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' OE2' ' NZ ' ' A' ' 13' ' ' LYS . 7.8 tm-20 -79.13 -49.07 13.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.98 -39.81 59.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.91 -37.75 76.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 15' ' ' LEU . 66.4 m-20 -52.96 -49.09 66.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.447 ' NZ ' ' OE2' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -43.86 -26.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 17' ' ' VAL . 28.2 mm100 -85.68 -37.49 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 ' HG ' ' N ' ' A' ' 16' ' ' LYS . 0.6 OUTLIER -42.57 -40.35 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.486 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 4.5 ptpp? -70.43 -31.4 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.486 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 55.2 t -77.61 -39.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.8 mt -62.77 -49.43 75.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' SER . 43.9 mt -61.61 -46.53 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' LEU . 1.8 m -36.59 -48.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.23 132.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' A' ' 24' ' ' PHE . . . -135.34 146.47 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.7 m -72.19 142.29 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' A' ' 22' ' ' ALA . 95.8 m-85 -148.42 160.83 42.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 HD12 ' CG ' ' A' ' 34' ' ' PRO . 12.0 mt -93.56 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG12 ' CD1' ' A' ' 100' ' ' LEU . 97.3 t -103.33 129.04 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 14.7 m -100.5 97.66 8.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLY . 14.6 m-85 -75.25 155.86 36.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.37 -116.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -125.6 39.59 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 32' ' ' GLU . 38.9 t -79.77 102.18 8.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -37.96 -37.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 16.5 ttmt -105.88 130.62 22.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.459 ' CG ' HD12 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.74 -173.86 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -136.6 139.52 42.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -64.15 107.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 30.7 mtp -130.95 161.27 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.4 m -107.56 131.28 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.98 112.6 20.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -147.11 165.79 28.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 9.5 mt -103.08 137.37 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -62.22 165.85 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -47.15 -39.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -70.76 -25.48 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 62.21 42.42 9.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -124.13 -19.45 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.09 148.59 49.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.438 HD12 ' CE ' ' A' ' 122' ' ' MET . 28.4 mt -99.39 142.23 31.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -125.18 156.69 38.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.6 mt -126.34 154.21 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.02 109.4 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.98 -125.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.52 -42.23 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -156.25 177.71 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -70.81 103.89 2.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -122.98 157.94 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -156.98 138.84 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 72.1 mt -105.06 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 10.2 mt-10 -64.54 101.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' VAL . 58.4 mt -43.38 -51.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 60' ' ' ILE . 7.0 m -36.34 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.1 m-70 -75.62 -54.76 6.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.463 HG22 ' CG2' ' A' ' 66' ' ' VAL . 50.4 mt -33.99 121.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.3 p -101.14 -56.01 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.793 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -103.94 141.46 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 63' ' ' ILE . 74.5 t -144.82 105.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -133.4 160.68 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.452 HG21 ' N ' ' A' ' 69' ' ' LEU . 84.5 mt -106.37 140.92 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' N ' HG21 ' A' ' 68' ' ' ILE . 46.4 mt -95.26 122.46 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 p -106.2 146.74 29.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -69.08 69.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.25 134.53 3.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -48.74 105.87 0.55 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.26 17.32 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.1 4.73 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.41 -71.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.51 117.42 2.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.449 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' ASN . . . -172.02 117.38 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 78' ' ' GLY . 1.2 t30 -37.82 107.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.91 148.91 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -95.03 118.92 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.72 113.58 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 84' ' ' GLY . 8.5 t -92.07 -38.95 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.446 ' N ' HG22 ' A' ' 83' ' ' THR . . . -125.44 179.52 16.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.461 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.419 ' HG3' ' N ' ' A' ' 86' ' ' PHE . 1.0 OUTLIER -148.0 154.81 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 85' ' ' MET . 8.5 t80 -139.99 128.47 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' CD2' HG12 ' A' ' 66' ' ' VAL . 28.6 mt -135.26 165.53 25.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.36 135.54 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -159.55 156.34 27.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.0 p -99.17 142.46 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.478 ' CG1' ' HD2' ' A' ' 92' ' ' PRO . 87.4 t -110.16 138.86 20.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.597 0.713 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.76 133.13 24.82 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.46 -43.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.451 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 14.8 t -82.07 168.91 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -116.48 125.89 52.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.42 -165.97 12.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.97 134.68 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 94.1 m -109.09 129.44 55.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -110.82 147.85 33.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' CD1' HG12 ' A' ' 26' ' ' VAL . 3.0 tp -116.8 159.41 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -138.13 145.41 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mt -131.5 135.6 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.1 m -138.51 148.21 44.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.38 130.82 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.417 HG11 ' N ' ' A' ' 106' ' ' GLU . 42.3 t -93.16 138.42 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.417 ' N ' HG11 ' A' ' 105' ' ' VAL . 13.1 pt-20 -88.57 38.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.2 170.73 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.5 m -50.09 166.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.438 ' O ' ' C ' ' A' ' 110' ' ' VAL . 16.6 m 62.24 30.51 17.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 109' ' ' THR . 29.8 m -33.8 131.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -151.71 59.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -46.05 -55.15 7.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -47.83 -42.77 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 41.7 tp60 -63.76 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.56 -63.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.53 -44.04 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -49.69 -50.35 44.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -64.21 -48.34 76.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 97.3 mt -50.29 -46.24 55.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.424 HG11 ' N ' ' A' ' 121' ' ' ALA . 9.4 p -74.21 -36.04 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.424 ' N ' HG11 ' A' ' 120' ' ' VAL . . . -57.72 -54.79 42.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.438 ' CE ' HD12 ' A' ' 48' ' ' LEU . 7.6 tpt -49.21 -60.33 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -46.37 -48.75 18.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -53.21 -47.45 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.81 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.1 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -53.22 -49.96 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.6 -42.79 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.06 -60.21 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.54 176.06 6.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -139.48 158.6 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.432 ' HB3' ' NH1' ' A' ' 133' ' ' ARG . 5.2 mmm180 -123.02 120.76 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.04 85.37 2.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -111.58 166.94 10.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.4 m -130.39 153.78 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 91.53 155.35 31.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 164.0 36.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.1 t -130.25 120.24 24.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 39.0 t -112.39 92.25 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -77.96 136.62 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -158.76 147.36 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.23 52.79 4.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 m -66.34 99.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.0 p -82.2 148.93 28.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.65 -137.84 9.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . 59.71 40.38 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.711 0.291 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -35.19 -58.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -42.41 -55.51 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.554 ' CE2' HD23 ' A' ' 15' ' ' LEU . 2.5 t80 -59.97 -52.5 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 11' ' ' TYR . 1.2 m-20 -37.93 -27.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' TYR . 17.8 mmmt -63.02 -59.59 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' CD ' ' HA ' ' A' ' 11' ' ' TYR . 4.8 pm0 -69.17 -17.77 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.554 HD23 ' CE2' ' A' ' 11' ' ' TYR . 17.8 mt -67.29 -71.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -47.2 -38.76 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.63 -43.98 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.407 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 36.1 mt -66.54 -60.94 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -39.06 -54.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -44.01 -52.93 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.92 154.81 31.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.56 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -137.9 139.68 39.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.077 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.523 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 5.2 m -69.32 130.7 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.56 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 23.8 m-85 -141.17 172.8 12.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.459 ' CD2' ' HB2' ' A' ' 34' ' ' PRO . 11.9 mt -105.16 116.94 32.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.05 132.78 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -118.91 135.73 54.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.101 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -113.44 160.12 18.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.21 -11.5 52.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -97.07 -36.25 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.6 p -96.79 119.56 35.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -7.67 57.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.7 138.26 25.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.563 0.696 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.459 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.77 145.36 56.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -120.12 140.66 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 m -70.87 109.63 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.6 mtp -128.79 153.97 46.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 m -93.09 147.55 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -135.39 126.76 28.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -155.94 166.5 33.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -103.62 150.59 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -66.9 169.76 7.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -47.77 -40.36 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -92.08 -13.74 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 66.67 39.96 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -104.24 -19.32 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -135.79 155.26 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -106.09 140.07 39.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -118.94 144.94 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 38.0 mt -131.34 120.0 22.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -111.4 138.4 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.63 -133.7 3.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.15 -47.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -146.15 158.08 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 55' ' ' HIS . 13.5 p80 -73.33 115.02 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -124.41 150.34 45.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -146.17 112.98 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.41 HG23 ' CD2' ' A' ' 89' ' ' TYR . 33.9 mt -107.54 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.31 132.65 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 73.6 mt -64.49 -8.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -77.94 -27.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.3 -25.31 19.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.441 HG22 ' CG2' ' A' ' 66' ' ' VAL . 23.9 mt -61.65 135.69 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t -111.39 -53.96 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.3 m -109.38 141.48 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.441 ' CG2' HG22 ' A' ' 63' ' ' ILE . 70.3 t -143.23 106.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.98 156.83 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.43 HD13 ' CB ' ' A' ' 123' ' ' HIS . 77.7 mt -104.05 137.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.56 111.02 19.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 p -123.78 108.54 12.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 5.5 tm-20 -47.87 150.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.441 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 128.81 77.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.1 m-85 -47.23 -60.19 4.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.707 0.765 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.8 167.92 23.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 160.33 50.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.53 -127.94 2.55 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.73 -42.85 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.16 -43.59 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -82.14 111.79 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -167.51 117.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.442 ' N ' ' HD3' ' A' ' 81' ' ' ARG . 1.4 mpp_? -120.29 126.29 50.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.03 116.1 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.9 p -99.67 -24.93 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.03 169.96 42.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpp -122.75 147.2 46.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -124.61 121.46 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.0 mt -130.68 140.78 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 9.5 mt-30 -116.95 139.54 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.41 ' CD2' HG23 ' A' ' 58' ' ' ILE . 11.1 p90 -158.35 146.16 18.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 40.8 p -95.49 137.27 34.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.7 t -85.99 134.35 39.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 104.73 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.84 21.15 8.8 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -142.91 145.89 33.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.53 123.81 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.02 15.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.481 ' O ' ' NE2' ' A' ' 99' ' ' GLN . 87.9 t -104.53 140.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.5 m -105.37 153.55 21.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 3.3 mp0 -119.9 164.22 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -136.62 136.4 39.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -123.72 134.0 53.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.7 mt -123.09 152.01 41.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.5 m -141.61 147.49 37.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -72.8 124.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -116.92 9.3 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -119.78 89.72 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -112.33 70.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' THR . 16.4 m -125.86 -175.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' VAL . 17.9 p -37.79 -56.11 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 68.9 t -126.65 66.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -122.35 -60.73 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.0 tpp180 -42.89 -49.25 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -49.4 -56.4 9.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 37.3 tp60 -51.96 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -44.19 -68.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.5 t -43.0 -50.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.9 -48.94 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.407 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 30.6 t90 -66.14 -46.26 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.02 -55.27 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.457 ' CG1' ' N ' ' A' ' 121' ' ' ALA . 6.0 p -67.55 -43.79 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.457 ' N ' ' CG1' ' A' ' 120' ' ' VAL . . . -57.03 -27.94 62.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 9.0 tpt -68.73 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.43 ' CB ' HD13 ' A' ' 68' ' ' ILE . 9.9 t-160 -57.85 -47.56 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -55.13 -51.33 66.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 -21.78 60.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.594 ' O ' ' CE1' ' A' ' 130' ' ' TYR . . . -72.12 -22.46 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -70.94 -57.55 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . 0.539 HD11 ' CE1' ' A' ' 11' ' ' TYR . 13.6 mt -37.81 -33.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -57.15 -61.63 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 11.4 p90 -97.5 -54.2 3.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -42.28 -23.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 130' ' ' TYR . 1.3 t -48.36 159.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.45 145.43 30.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -66.53 139.13 57.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -76.04 -50.33 15.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 46.9 t -55.54 -37.56 68.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -106.6 84.4 0.39 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.71 4.23 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.1 t -81.93 116.65 21.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.4 m -100.63 118.81 37.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.473 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -119.71 98.01 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -79.95 129.38 34.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 111.18 -47.48 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.8 t -36.04 113.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.914 0.387 . . . . 0.0 110.841 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -78.21 131.35 37.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.817 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.56 68.6 1.08 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.57 92.2 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.727 0.299 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' PHE . 10.8 mp0 -132.03 -41.01 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' GLU . 33.8 t80 -37.17 -47.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' GLN . 64.4 t80 -94.92 -53.44 3.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -40.5 -50.5 2.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -59.19 -32.57 70.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . 35.4 mt-30 -77.35 -56.01 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.514 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -54.95 -43.68 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 15' ' ' LEU . 2.7 ptmm? -59.55 -37.15 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.462 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 58.4 t -67.86 -43.37 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.561 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 49.3 mt -57.94 -41.89 83.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -66.86 -51.05 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -40.45 -45.58 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 126.6 3.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.566 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -121.09 165.37 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 24' ' ' PHE . 47.7 m -95.51 146.88 24.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CE1' ' HB1' ' A' ' 22' ' ' ALA . 37.5 m-85 -157.58 150.1 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' CD2' ' HB2' ' A' ' 34' ' ' PRO . 10.8 mt -84.43 104.07 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -92.41 108.34 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -93.43 123.06 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' GLU . 26.3 m-85 -89.97 142.5 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.22 81.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -72.73 -41.95 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.6 m -94.42 -7.27 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' PHE . 13.2 mt-10 38.82 24.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.2 ttmt -128.52 137.01 30.0 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.602 0.715 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . 0.401 ' HB2' ' CD2' ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.75 159.45 53.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -149.2 143.95 26.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -78.67 104.58 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.1 mtp -130.49 168.76 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.5 m -115.46 130.77 56.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -115.8 114.07 24.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -135.54 165.26 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.5 mt -102.88 146.07 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -60.11 178.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -52.53 -44.29 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -103.62 22.32 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 41.47 45.38 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -107.97 -25.88 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -132.09 144.14 50.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.8 mt -102.22 157.29 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -148.13 156.12 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -129.37 159.76 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.74 124.15 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 171.15 -134.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' GLY . 18.2 p-10 -37.69 -46.02 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -153.06 177.78 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -77.95 119.76 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -130.16 152.5 49.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -154.79 132.39 11.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.515 HG23 ' CD2' ' A' ' 89' ' ' TYR . 43.6 mt -112.27 99.98 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -63.62 112.84 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.1 mt -48.06 -40.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 62' ' ' HIS . 34.0 m -50.02 -30.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.416 ' N ' HG23 ' A' ' 61' ' ' VAL . 52.6 m-70 -82.88 -47.45 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG22 ' CG2' ' A' ' 66' ' ' VAL . 78.7 mt -42.14 134.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.413 ' N ' HG23 ' A' ' 63' ' ' ILE . 86.0 p -111.4 -36.16 5.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.416 ' C ' HG21 ' A' ' 66' ' ' VAL . 85.1 m -121.73 143.86 49.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.469 ' CG2' HG22 ' A' ' 63' ' ' ILE . 89.9 t -146.87 105.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -135.89 156.92 48.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 67.5 mt -102.96 143.63 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.7 mt -89.93 109.84 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 82.6 p -121.19 127.82 51.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -121.65 121.75 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.46 -67.24 1.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -102.51 96.68 7.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.891 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 161.27 46.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.335 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.98 -95.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.64 139.25 15.03 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ASN . . . 70.22 -174.34 37.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' GLY . 77.2 m-20 -38.04 149.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.52 130.34 53.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -86.27 87.4 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -92.79 121.87 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.6 p -103.28 38.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.62 176.68 21.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.458 ' HB3' ' CD1' ' A' ' 102' ' ' LEU . 2.1 tpt -141.06 152.26 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -135.28 112.82 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.442 ' CD2' HG11 ' A' ' 66' ' ' VAL . 14.1 mt -124.87 149.65 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.0 mt-30 -123.83 154.82 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.515 ' CD2' HG23 ' A' ' 58' ' ' ILE . 17.1 p90 -169.54 154.25 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 27.0 p -111.52 142.1 44.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.25 130.3 23.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.52 -41.41 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -88.33 152.13 22.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.151 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -94.31 128.17 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.2 179.62 24.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 77.4 t -113.9 146.19 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 111.099 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.471 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 90.6 m -108.26 130.11 55.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -104.47 171.67 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.2 tp -144.21 120.19 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 ttpt -114.28 124.1 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.458 ' CD1' ' HB3' ' A' ' 85' ' ' MET . 47.6 mt -108.21 146.75 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.7 m -142.64 150.45 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.464 HG12 ' N ' ' A' ' 105' ' ' VAL . 89.3 t -73.74 140.62 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.467 HG11 ' N ' ' A' ' 106' ' ' GLU . 93.2 t -111.21 141.26 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.467 ' N ' HG11 ' A' ' 105' ' ' VAL . 6.3 pt-20 -73.17 98.24 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -122.46 176.68 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 109' ' ' THR . 7.8 p -84.73 -40.67 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.467 ' N ' HG13 ' A' ' 108' ' ' VAL . 23.4 p -121.61 178.03 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 109' ' ' THR . 32.9 m 33.93 42.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -61.29 -125.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 7.9 mtt85 -66.99 -48.23 69.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -38.16 -44.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -77.98 -45.66 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.79 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 91.0 t -48.15 -47.52 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.02 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.561 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 17.5 t90 -67.45 -45.67 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.422 ' CD2' ' HB2' ' A' ' 85' ' ' MET . 27.2 mt -49.46 -59.92 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -62.07 -43.53 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -51.41 -44.43 62.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.3 tpt -58.9 -60.99 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -52.1 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -39.13 -61.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.44 -46.47 83.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -50.01 -56.85 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 mt -51.26 -53.23 37.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -40.22 -61.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.06 -63.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -50.82 170.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.4 p -38.26 155.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -138.22 117.19 12.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -40.44 123.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -124.68 165.51 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.0 m -131.28 -55.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.28 143.34 26.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 144.35 53.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.745 2.296 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 p -115.61 131.8 56.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.3 t -127.16 162.25 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -88.14 172.99 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 t -41.81 141.46 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.42 134.64 3.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 m -74.03 178.03 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -132.69 -55.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.04 -107.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.66 48.05 9.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -45.2 -49.83 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -47.23 -43.41 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' ASP . 59.5 m-85 -68.74 -53.82 19.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' TYR . 77.0 m-20 -36.36 -36.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -72.85 -50.0 26.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -53.6 -22.37 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -46.2 -71.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -39.85 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.71 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.424 ' HB2' ' NE2' ' A' ' 45' ' ' GLN . 95.0 mt -63.1 -58.81 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.4 mt -55.52 -52.84 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.0 p -42.01 -50.93 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.91 146.24 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.551 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -132.39 164.31 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.469 ' CG2' HG23 ' A' ' 36' ' ' THR . 20.6 m -83.64 144.42 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.551 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.1 m-85 -148.93 150.83 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.7 mt -93.35 108.49 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.407 HG21 ' CD2' ' A' ' 102' ' ' LEU . 58.4 t -95.91 122.35 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -106.51 101.91 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -75.63 147.64 39.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.44 -48.86 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -74.21 -51.86 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 m -62.85 87.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.91 -30.22 33.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -103.21 135.24 19.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 142.59 48.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -114.25 155.49 26.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.469 HG23 ' CG2' ' A' ' 23' ' ' THR . 32.0 m -81.23 111.44 17.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtp -125.68 176.5 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.3 m -127.13 131.22 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 t -122.95 119.4 30.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -142.22 164.03 31.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.9 mt -104.69 132.73 50.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.456 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 6.0 t -59.34 177.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -52.87 -48.68 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -60.4 -19.63 56.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.424 ' NE2' ' HB2' ' A' ' 18' ' ' LEU . 29.7 mt-30 52.37 42.04 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -124.7 -24.37 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -120.51 147.7 44.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.452 ' CD1' ' HE1' ' A' ' 122' ' ' MET . 13.2 mt -98.59 147.21 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.456 ' CE1' ' HB2' ' A' ' 42' ' ' SER . 68.9 m-85 -136.82 144.01 43.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 mt -115.4 160.76 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -149.17 128.69 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 165.04 -133.6 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-20 -34.46 -43.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.4 m -152.82 171.92 17.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -76.49 110.39 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . 0.404 ' C ' ' HG3' ' A' ' 57' ' ' GLU . 9.2 m-85 -121.17 157.27 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.404 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 36.1 mt-10 -150.92 124.24 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 40.8 mt -106.85 100.04 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.13 109.04 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 49.4 mt -48.74 -47.13 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.2 m -48.42 -36.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.24 -38.62 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.458 HG22 ' CG2' ' A' ' 66' ' ' VAL . 49.3 mt -51.6 122.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -95.63 -54.05 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' THR . . . . . 0.408 HG23 ' N ' ' A' ' 66' ' ' VAL . 63.6 m -104.03 145.32 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 63' ' ' ILE . 83.9 t -144.26 105.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -133.4 160.67 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -107.16 134.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 94.8 mt -84.05 124.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 p -131.21 137.95 49.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.59 165.2 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.18 95.19 0.99 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.549 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 13.8 m-85 -58.35 -56.31 36.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.2 Cg_endo -69.83 129.98 18.47 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 172.22 13.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.71 -65.64 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.0 57.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.05 40.17 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 1.8 p30 -66.58 117.17 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.08 36.53 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -122.35 152.69 39.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.97 112.83 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 12.3 t -123.54 43.36 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 177.84 176.61 45.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.534 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.6 ttm -162.6 133.99 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 34.1 t80 -121.78 114.35 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 15.5 mt -119.04 155.12 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -133.23 131.62 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.9 p90 -146.87 165.45 29.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -114.86 140.2 49.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.76 128.81 27.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.77 -32.99 4.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.4 t -96.56 169.39 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 111.117 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.98 117.45 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.91 -178.63 16.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG13 ' N ' ' A' ' 98' ' ' THR . 87.0 t -114.4 143.99 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 111.158 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.414 ' N ' HG13 ' A' ' 97' ' ' VAL . 67.6 m -111.28 132.19 54.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.1 mt-30 -106.48 145.09 32.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.2 tp -120.01 131.78 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 50.4 tttm -115.71 132.24 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.407 ' CD2' HG21 ' A' ' 26' ' ' VAL . 63.1 mt -121.88 145.31 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 m -144.01 133.59 23.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 96.7 t -71.62 133.68 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . 0.446 HG23 ' N ' ' A' ' 106' ' ' GLU . 11.2 p -108.44 154.56 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 105' ' ' VAL . 18.2 pt-20 -111.02 131.61 54.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -156.63 169.48 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.426 HG21 ' N ' ' A' ' 109' ' ' THR . 27.8 m -45.49 -38.8 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.426 ' N ' HG21 ' A' ' 108' ' ' VAL . 8.2 m -74.16 151.61 40.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.9 p -84.92 124.59 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' ARG . . . -142.24 -39.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' GLY . 10.6 tpp180 -35.08 -50.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.84 -56.01 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 10.1 tp60 -59.5 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.57 -66.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.8 t -44.22 -47.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -69.9 -46.24 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 33.2 mt -52.13 -49.71 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 121' ' ' ALA . 14.5 p -70.48 -45.04 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.456 ' N ' HG12 ' A' ' 120' ' ' VAL . . . -54.05 -47.73 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.452 ' HE1' ' CD1' ' A' ' 48' ' ' LEU . 11.7 tpt -58.17 -53.45 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -49.47 -55.03 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -53.87 -44.28 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -64.87 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.31 -42.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -51.87 -55.81 17.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.37 -48.9 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.7 mt -42.46 -59.67 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -78.78 -62.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -59.95 178.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.8 t -86.35 168.5 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.01 144.11 28.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.27 119.32 38.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -88.43 42.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.9 m -39.88 -55.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 117.44 144.16 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -25.1 29.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 28.9 p -139.68 175.71 9.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.6 t -82.66 135.14 35.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.482 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -111.41 132.15 54.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m 45.42 47.76 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.37 -142.46 3.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -141.24 144.45 34.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -100.22 130.71 46.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.21 79.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.67 84.58 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.5 -38.57 5.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.32 -38.48 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -80.77 -52.38 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -44.47 61.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.831 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -40.83 -32.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' LEU . 77.0 mt-30 -72.7 -51.9 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 14' ' ' GLN . 48.2 mt -35.81 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -42.93 -43.73 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 97.8 t -64.33 -46.65 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.498 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 85.2 mt -52.41 -59.32 4.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.35 -46.48 55.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -37.34 -50.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.06 138.73 5.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.506 ' HB2' ' CZ ' ' A' ' 24' ' ' PHE . . . -129.61 165.55 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.566 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 17.1 m -84.26 147.67 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 23' ' ' THR . 65.3 m-85 -160.05 171.84 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -110.11 114.6 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 99.3 t -99.09 117.95 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -101.27 101.48 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.43 143.98 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.75 -36.42 6.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -73.92 -53.28 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -73.47 117.92 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -81.0 -6.98 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -122.86 138.23 29.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.01 46.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -123.5 141.81 51.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -66.57 106.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.75 159.13 28.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.4 m -107.2 121.07 43.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 m -109.59 125.01 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -144.36 167.62 22.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.0 mt -103.03 144.57 31.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 174.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -45.79 -53.47 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -96.09 7.11 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 62.98 43.63 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.647 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 90.3 mtt180 -99.56 -10.35 22.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 16.9 m-85 -154.81 159.01 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -116.6 140.41 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 15.1 mt -124.38 141.11 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.92 131.81 54.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 158.08 -131.11 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' GLY . 69.6 m-20 -34.6 -47.79 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -158.05 175.76 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -73.0 88.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -102.47 147.98 26.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -152.74 150.14 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 68.3 mt -127.93 100.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -65.19 122.84 18.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.449 ' CG2' HD13 ' A' ' 129' ' ' LEU . 61.0 mt -59.43 -36.15 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.461 HG21 ' N ' ' A' ' 62' ' ' HIS . 20.4 m -48.01 -29.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.461 ' N ' HG21 ' A' ' 61' ' ' VAL . 7.3 m-70 -89.14 -49.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.427 HG21 ' CG2' ' A' ' 66' ' ' VAL . 52.5 mt -36.38 126.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.4 t -105.37 -53.52 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.5 m -105.35 137.42 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.427 ' CG2' HG21 ' A' ' 63' ' ' ILE . 57.3 t -138.22 105.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.95 158.33 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.435 HG22 ' N ' ' A' ' 69' ' ' LEU . 72.7 mt -105.49 137.17 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.435 ' N ' HG22 ' A' ' 68' ' ' ILE . 77.7 mt -82.94 129.14 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.0 p -120.71 169.65 10.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.72 -44.54 81.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.69 -169.42 16.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.475 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 4.3 m-85 -51.7 -60.75 5.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.875 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.475 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.76 159.53 53.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.732 2.288 . . . . 0.0 112.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -33.27 16.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.81 175.67 19.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.12 43.7 1.89 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.39 -85.19 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -100.82 146.66 27.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.71 125.13 27.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -119.33 82.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.84 93.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.0 p -51.23 -46.46 62.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.19 -179.06 35.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 6.5 ttm -119.98 155.82 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.432 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . 46.6 t80 -133.65 119.13 18.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.7 mt -129.87 151.61 50.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.86 140.7 50.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -157.4 155.55 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.5 p -102.39 154.36 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -115.07 129.96 24.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 81.87 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.16 32.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -150.5 177.91 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -118.82 118.8 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.2 -176.71 22.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.459 HG11 ' N ' ' A' ' 98' ' ' THR . 81.5 t -113.88 137.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.459 ' N ' HG11 ' A' ' 97' ' ' VAL . 87.7 m -101.93 136.92 40.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.429 ' CD ' ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -112.37 168.72 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 tp -134.62 134.21 40.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 28.7 tttt -118.27 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 42.0 mt -123.87 153.66 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.5 m -142.28 146.17 34.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -87.08 119.03 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 10.4 t -90.56 13.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -120.4 134.9 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.46 -29.28 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 m -64.43 -176.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.5 m -74.78 -51.78 13.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.5 t -42.65 -71.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 112' ' ' ARG . . . -54.77 -67.33 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.44 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 111' ' ' GLY . 17.2 tpp180 -34.71 -57.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -54.19 -46.49 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -62.68 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.13 -62.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.64 -44.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' ALA . . . -53.08 -42.04 65.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.498 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 32.0 t90 -78.75 -33.41 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.25 -46.83 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.28 -38.75 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' ALA . . . -59.52 -53.65 55.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . 0.468 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.2 tmt? -45.64 -68.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' MET . 36.7 t-80 -37.25 -41.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -53.54 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -52.98 -29.28 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . 0.464 ' O ' ' C ' ' A' ' 127' ' ' LYS . . . -66.31 -50.5 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . 0.52 ' HA ' ' CZ ' ' A' ' 130' ' ' TYR . 16.1 mttp -33.14 -56.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -41.56 -45.96 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.449 HD13 ' CG2' ' A' ' 60' ' ' ILE . 13.1 mt -39.62 -57.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.52 ' CZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -94.91 -54.79 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' A' ' 132' ' ' SER . 17.6 mm-40 -41.18 -24.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 131' ' ' GLU . 4.3 t -31.52 98.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 132' ' ' SER . 52.1 mmm-85 33.69 55.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -119.91 -46.29 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -61.61 145.66 51.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 95.1 p -125.41 100.65 6.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.09 -153.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -29.02 24.48 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.1 t -46.71 136.85 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.5 p -57.36 150.9 17.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -62.69 97.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -61.52 -45.47 94.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.49 101.36 2.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -172.75 162.95 5.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -134.1 92.39 2.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.12 84.86 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.55 34.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.738 0.304 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' PHE . 22.6 mt-10 -41.75 -28.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.574 ' CG ' ' N ' ' A' ' 11' ' ' TYR . 1.1 p90 -37.39 -49.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.574 ' N ' ' CG ' ' A' ' 10' ' ' PHE . 24.8 t80 -83.37 -56.48 3.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' TYR . 12.7 m-20 -36.96 -51.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 12' ' ' ASP . 6.0 ttpm? -37.08 -44.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 17' ' ' VAL . 20.8 mp0 -66.07 -51.09 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -36.78 -57.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 6.1 pttm -62.51 -32.9 73.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 14' ' ' GLN . 58.5 t -68.89 -33.57 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.418 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 24.2 mt -70.33 -65.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -41.06 -51.14 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 t -44.12 -40.91 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 143.28 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.07 167.41 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.432 HG21 ' N ' ' A' ' 24' ' ' PHE . 22.6 m -87.04 143.12 27.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.432 ' N ' HG21 ' A' ' 23' ' ' THR . 84.0 m-85 -150.87 158.78 44.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 mt -100.18 107.18 18.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 25.9 t -93.03 127.65 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -116.24 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.72 148.95 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.25 -21.57 33.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.25 -34.13 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -100.38 131.39 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -85.51 -17.95 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -105.57 137.51 19.32 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -132.94 138.53 46.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -76.41 117.59 18.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.7 mtp -135.02 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 m -120.66 124.19 44.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -113.99 120.53 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.26 167.21 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.0 mt -103.83 158.88 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.506 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 99.0 p -81.52 175.76 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -45.13 -54.29 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.83 -4.18 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 61.04 31.73 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 14.8 mtt-85 -96.24 3.03 53.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 46' ' ' ARG . 47.4 m-85 -157.69 148.72 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -104.39 146.29 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.506 ' CZ ' ' HB3' ' A' ' 42' ' ' SER . 10.3 m-85 -122.04 148.81 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 66.8 mt -126.83 153.39 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -139.97 129.49 24.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.28 -120.79 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.68 -43.35 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -149.45 173.71 13.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -70.71 105.49 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -120.11 149.05 42.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.8 140.66 16.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' A' ' 89' ' ' TYR . 33.9 mt -121.45 100.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -64.76 135.56 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 82.2 mt -70.05 -16.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 28.5 m -69.49 -21.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -97.2 -40.15 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -47.8 132.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -111.05 -51.58 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 m -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.5 t -134.59 101.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.19 158.51 41.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 80.1 mt -103.69 146.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -88.38 120.12 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.1 p -131.06 107.31 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -88.23 141.22 28.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.47 73.22 1.07 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -121.76 147.72 49.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.689 0.757 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 110.37 2.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 171.18 14.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.78 -57.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.02 -58.03 0.23 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.06 110.18 3.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -85.91 113.11 21.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.45 140.39 11.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -89.97 -60.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.08 115.64 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.8 p -102.26 34.31 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 142.21 -161.34 27.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.8 tpp -155.71 146.07 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.461 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 12.0 t80 -126.28 125.01 41.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mt -128.57 154.85 45.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -132.69 136.5 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.428 ' CD2' HG23 ' A' ' 58' ' ' ILE . 31.7 p90 -152.23 147.73 26.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 81.4 p -103.26 144.28 31.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.41 130.07 25.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 80.63 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.96 36.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 t -143.38 173.62 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -115.39 106.7 14.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.06 -175.49 18.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 69.8 t -115.92 143.44 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.2 m -104.28 136.3 44.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . 0.461 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.6 pt20 -115.39 137.95 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 3.2 tp -115.68 122.09 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.9 ttmp? -100.12 135.36 41.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 76.2 mt -123.82 131.77 53.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 m -128.18 148.03 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.7 t -78.3 144.51 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.94 161.91 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.36 -36.01 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -53.08 -55.23 25.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 109' ' ' THR . 55.0 t -56.02 149.96 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' VAL . 21.7 m -37.06 -58.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.9 m -49.59 139.62 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -101.4 -153.36 25.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.546 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 8.1 tpp180 -83.38 -43.16 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -52.67 -39.36 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -66.91 -60.94 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.38 -57.79 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 99.4 t -47.98 -43.11 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.36 94.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 64.4 t90 -65.76 -46.87 77.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 17.9 mt -48.16 -62.81 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.8 p -61.54 -39.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -56.16 -41.01 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.0 tpt -61.56 -55.99 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -58.55 -54.99 40.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -43.25 -58.5 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.05 99.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -43.7 -35.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.46 -49.78 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -52.52 -47.48 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.0 mt -46.66 -59.58 2.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' TYR . . . . . 0.418 ' N ' ' CD1' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -72.31 -62.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -54.64 157.24 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 98.2 p -109.51 164.24 12.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.49 126.31 51.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.3 -43.67 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -48.88 -68.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.5 p -55.03 -22.42 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 102.94 -155.5 18.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 177.48 5.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.363 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.6 m -117.26 -48.65 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.5 m -84.56 167.36 16.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.457 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.729 0.299 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' VAL . 29.8 mm-40 -89.43 -36.7 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -40.29 -40.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 25.3 pttt -70.79 -38.55 73.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 49.4 t -68.87 -37.72 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.954 ' HB3' HD12 ' A' ' 41' ' ' LEU . 31.3 mt -67.37 -54.29 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' SER . 58.3 mt -54.42 -50.89 66.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t -34.51 -46.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.86 122.18 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -114.12 153.1 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.15 139.43 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 70.9 m-85 -149.86 -179.49 7.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.752 HD22 ' HB2' ' A' ' 34' ' ' PRO . 33.9 mt -108.62 110.49 21.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 37' ' ' MET . 98.8 t -96.97 132.46 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.5 m -124.84 117.95 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -86.08 146.05 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.9 -39.36 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -76.5 -43.13 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.822 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -79.63 124.13 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -89.55 -18.05 27.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -101.16 138.6 20.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.752 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 139.6 40.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -120.2 137.01 54.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.5 m -68.11 112.28 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.441 ' HB2' HG23 ' A' ' 26' ' ' VAL . 14.2 mtp -128.41 171.8 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -117.31 130.01 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.0 m -116.73 125.79 52.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -146.39 167.96 22.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.954 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.4 mt -103.07 164.14 11.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 t -81.42 177.27 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -51.35 -44.13 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' GLN . 12.0 m-80 -103.37 29.11 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 34.42 39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -108.31 -1.9 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -153.07 146.99 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -102.32 139.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.702 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.9 m-30 -120.05 155.24 33.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.702 HD23 ' O ' ' A' ' 49' ' ' PHE . 24.2 mt -135.82 143.26 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.0 136.41 44.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.44 -132.7 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.32 -25.87 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -155.94 172.46 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -85.79 112.04 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.497 ' HB3' HD12 ' A' ' 50' ' ' LEU . 6.7 m-85 -124.74 147.69 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 26.7 mt-10 -149.17 126.14 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' CD1' HD22 ' A' ' 100' ' ' LEU . 56.9 mt -108.85 101.35 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.624 ' HB3' HG22 ' A' ' 61' ' ' VAL . 42.6 mt-10 -64.34 125.83 25.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.9 mt -65.23 -20.82 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 59' ' ' GLU . 14.7 m -69.52 -26.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -89.36 -36.57 15.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 60' ' ' ILE . 71.7 mt -49.73 132.52 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 t -101.58 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.3 m -107.82 149.83 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.635 HG13 HD23 ' A' ' 87' ' ' LEU . 43.1 t -150.86 105.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.07 159.06 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 84' ' ' GLY . 37.3 mt -101.83 134.63 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.37 113.04 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.871 0.367 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.607 HG22 HH12 ' A' ' 112' ' ' ARG . 29.5 p -106.79 -26.51 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -133.58 -177.13 14.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.777 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -150.17 150.38 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.783 0.325 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -135.06 122.26 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.635 HD23 HG13 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -131.7 139.55 49.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 63' ' ' ILE . 47.1 mt-30 -117.4 140.41 49.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -163.33 156.59 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 97' ' ' VAL . 67.5 p -117.41 145.74 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.7 t -110.85 138.88 21.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.77 114.76 3.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.74 -45.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -80.93 -179.62 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.94 118.9 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.3 -158.72 14.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 90' ' ' THR . 87.6 t -125.63 145.44 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.1 m -114.25 129.38 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -112.17 148.56 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 58' ' ' ILE . 4.2 tp -125.59 132.15 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -111.82 140.57 46.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 mt -130.37 120.05 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 m -119.54 162.16 19.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.55 122.5 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.607 HH12 HG22 ' A' ' 83' ' ' THR . 15.6 mmt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -59.02 -54.61 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -67.54 -48.24 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.57 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.81 -31.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.76 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.549 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 21.4 t90 -67.11 -51.84 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 85' ' ' MET . 93.2 mt -46.44 -63.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.8 p -52.79 -47.22 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.554 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -52.7 -48.93 66.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -53.18 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -48.08 -51.73 23.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -44.1 -53.47 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.19 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.574 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -54.34 -19.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.46 -50.44 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.8 -29.34 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 129' ' ' LEU . 11.5 mt -59.13 -34.26 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mttt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.741 0.305 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -74.44 -19.62 60.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.56 -68.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -38.67 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.39 -49.74 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 85.9 mt -57.48 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -46.04 -52.19 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -39.6 -35.05 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.5 131.42 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -113.52 179.55 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 8.5 m -105.59 140.9 37.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 44.0 m-85 -150.54 163.84 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.731 HD22 ' HB2' ' A' ' 34' ' ' PRO . 32.9 mt -94.7 115.28 27.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 100' ' ' LEU . 62.1 t -101.25 126.82 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 m -118.39 108.11 14.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' SER . 80.2 m-85 -83.33 135.25 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.94 -37.62 0.1 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -71.41 -44.98 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' PHE . 9.6 m -87.47 121.84 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -84.69 -7.87 59.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -111.11 138.18 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.731 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.2 Cg_endo -69.81 144.48 53.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.258 . . . . 0.0 112.295 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -122.69 146.86 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -79.9 108.67 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mtp -130.07 162.44 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -107.91 145.68 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.2 t -131.76 138.34 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -155.63 166.35 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 48' ' ' LEU . 5.2 mt -104.81 161.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -74.37 173.97 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -54.73 -35.56 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -105.99 12.14 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 47.89 52.56 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 9.3 mmt85 -118.48 -2.48 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' O ' ' A' ' 46' ' ' ARG . 76.7 m-85 -156.2 147.54 22.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.581 HD11 ' CE ' ' A' ' 122' ' ' MET . 59.2 mt -110.03 143.67 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.15 151.05 51.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.93 158.05 25.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.91 139.84 45.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 147.97 -139.07 7.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' GLY . 2.2 m-20 -35.51 -37.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -153.27 172.08 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -97.46 90.74 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -98.85 159.83 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -144.36 123.19 12.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.23 100.53 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.659 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.3 pm0 -72.24 125.14 26.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.92 -31.1 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 59' ' ' GLU . 4.2 m -55.42 -27.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.59 ' HD2' HG23 ' A' ' 61' ' ' VAL . 7.6 m-70 -90.8 -46.59 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mt -38.72 136.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -112.99 -56.64 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.4 m -106.17 140.76 38.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 87' ' ' LEU . 25.7 t -142.37 105.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -135.65 145.51 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 123' ' ' HIS . 56.1 mt -86.28 141.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 105.21 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.3 p -109.84 17.56 21.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.74 179.26 42.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.455 ' SD ' HD11 ' A' ' 87' ' ' LEU . 16.8 ttm -145.33 148.29 33.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' O ' HD23 ' A' ' 87' ' ' LEU . 3.7 t80 -126.87 130.32 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD22 HG22 ' A' ' 66' ' ' VAL . 10.8 mt -143.28 139.56 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -118.86 143.83 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -153.23 162.76 40.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -113.3 131.38 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG13 ' HD2' ' A' ' 92' ' ' PRO . 31.1 t -85.96 137.06 35.67 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.535 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.77 84.89 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.22 11.82 2.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 3.0 t -118.94 167.92 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -110.15 113.75 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.81 -164.52 12.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.47 141.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.9 m -101.46 132.01 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 10.9 pt20 -108.62 139.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.484 HD11 HG13 ' A' ' 26' ' ' VAL . 7.9 tp -118.73 143.16 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.26 131.97 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 26' ' ' VAL . 43.8 mt -124.67 141.44 52.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 104' ' ' VAL . 55.2 m -137.29 158.54 44.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.499 ' N ' HG22 ' A' ' 103' ' ' THR . 58.2 t -89.55 136.4 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.613 ' HD2' HG23 ' A' ' 116' ' ' VAL . 8.4 tpt180 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -56.94 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -45.49 -59.9 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.445 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -57.03 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.613 HG23 ' HD2' ' A' ' 112' ' ' ARG . 75.2 t -44.6 -33.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -43.71 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 52.3 t90 -62.65 -39.96 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.25 -51.96 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.65 -33.21 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.03 -30.04 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.581 ' CE ' HD11 ' A' ' 48' ' ' LEU . 6.6 tpt -76.66 -46.62 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' ILE . 1.5 t-80 -64.26 -49.53 71.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.01 -36.23 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.05 -27.5 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.67 -46.15 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.09 -34.04 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -35.8 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.07 -47.05 78.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.789 0.328 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.5 -31.51 35.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -54.06 -58.92 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 8.4 pttm -64.32 -39.05 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 93.2 t -59.65 -41.29 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.2 mt -67.31 -58.98 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' SER . 26.2 mt -54.43 -47.61 72.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t -34.51 -48.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.37 124.16 2.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -120.61 157.16 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -87.89 146.62 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 71.7 m-85 -155.96 157.73 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.3 mt -84.51 116.51 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.5 t -102.24 122.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 m -102.91 120.17 40.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -97.36 129.93 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.68 -35.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.94 -46.47 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -92.4 133.88 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -76.75 -28.42 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -106.15 134.45 19.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 168.48 21.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -132.43 149.6 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -67.0 106.35 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mtp -131.43 147.23 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.3 m -97.32 132.46 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.16 126.98 54.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -141.09 167.17 22.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 60' ' ' ILE . 7.0 mt -103.0 167.76 9.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -85.19 175.86 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -46.33 -55.87 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -94.46 18.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 47.94 48.56 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -113.26 -8.09 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.78 147.12 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.1 mt -104.51 138.2 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -121.21 141.38 50.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 mt -123.3 138.45 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.43 144.17 46.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.58 -138.45 8.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.6 -37.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.803 0.335 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.75 158.82 37.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 96.02 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -99.03 159.13 15.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -147.59 113.51 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.441 HD13 HD22 ' A' ' 100' ' ' LEU . 24.5 mt -99.98 99.96 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.603 ' HB3' HG22 ' A' ' 61' ' ' VAL . 36.2 mp0 -63.58 110.37 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.8 mt -49.53 -34.76 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.603 HG22 ' HB3' ' A' ' 59' ' ' GLU . 29.3 m -56.68 -29.81 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -82.81 -39.18 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 88' ' ' GLN . 63.8 mt -49.35 132.67 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -102.82 -59.67 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.1 m -103.97 138.51 40.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG13 HD23 ' A' ' 87' ' ' LEU . 83.9 t -134.98 101.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -129.26 160.43 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 84' ' ' GLY . 93.1 mt -110.37 137.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 17.9 mt -91.8 139.05 31.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.555 ' O ' HD12 ' A' ' 119' ' ' LEU . . . . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 t -98.95 -28.28 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -136.18 -158.21 8.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.2 ttm -166.47 150.56 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -135.79 104.99 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.6 HD12 HD23 ' A' ' 100' ' ' LEU . 7.6 mt -108.73 150.46 27.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 63' ' ' ILE . 34.6 mt-30 -127.77 132.23 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -152.24 159.94 43.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.498 HG22 HG22 ' A' ' 97' ' ' VAL . 40.9 p -104.82 148.8 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.692 HG13 ' HD2' ' A' ' 92' ' ' PRO . 97.8 t -108.4 139.14 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.692 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.74 116.82 4.73 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.92 -47.56 1.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.8 m -68.2 136.62 53.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -87.22 120.94 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 173.0 17.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 90' ' ' THR . 85.8 t -109.08 138.9 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.3 m -104.42 140.98 37.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -112.85 158.86 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 87' ' ' LEU . 16.2 tp -128.27 114.29 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 38.1 tttt -104.64 114.84 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.69 136.89 44.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.8 m -144.03 126.45 15.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.556 HG11 ' HD3' ' A' ' 112' ' ' ARG . 92.7 t -70.74 132.84 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.556 ' HD3' HG11 ' A' ' 104' ' ' VAL . 5.1 mmt85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -45.58 -46.36 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.501 ' CD ' ' C ' ' A' ' 114' ' ' GLN . 1.5 tm0? -61.91 -71.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -43.42 -59.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 112' ' ' ARG . 64.8 t -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 114' ' ' GLN . . . -62.36 -37.86 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.451 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 56.5 t90 -68.46 -53.33 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 82' ' ' ALA . 71.4 mt -44.48 -58.69 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 116' ' ' VAL . 5.0 p -60.25 -42.78 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -54.89 -59.63 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.442 ' N ' HD21 ' A' ' 18' ' ' LEU . 9.5 tpt -40.67 -54.71 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -60.19 -57.09 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -39.43 -58.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.05 80.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -47.86 -27.53 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -66.23 -58.49 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.0 mt -42.25 -46.02 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 126' ' ' ALA . 3.4 mt -39.91 -59.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.751 0.31 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.36 -37.99 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.13 -51.9 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -54.55 -37.4 65.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.77 -43.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.618 HD23 ' CD1' ' A' ' 118' ' ' TRP . 16.4 mt -62.99 -58.8 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -39.53 -59.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -40.32 -45.79 2.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.56 146.46 12.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.46 178.5 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -102.75 147.47 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 26.9 m-85 -156.09 171.0 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 34' ' ' PRO . 32.1 mt -107.47 118.5 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -102.34 136.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.0 m -123.76 111.78 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.77 143.94 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.48 -40.44 2.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -74.78 -40.8 60.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m -84.0 120.11 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -86.35 -13.73 45.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -109.83 136.1 20.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.54 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.9 Cg_endo -69.8 145.36 56.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -123.02 146.11 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.3 m -73.04 111.96 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mtp -134.19 147.83 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.6 m -93.06 140.69 29.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -125.71 124.24 40.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -144.77 166.79 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 18' ' ' LEU . 5.6 mt -103.25 167.85 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 p -80.6 178.01 8.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -52.54 -42.36 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -102.16 3.3 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.554 ' O ' HD11 ' A' ' 129' ' ' LEU . 33.9 mt-30 64.93 30.55 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -99.14 -2.42 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -146.01 161.88 39.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.4 mt -123.2 131.84 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -115.24 150.82 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 56' ' ' TYR . 8.2 mt -132.2 150.72 52.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -133.6 137.45 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.98 -131.34 2.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -38.53 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -151.67 178.75 9.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 55' ' ' HIS . 15.7 p80 -83.27 115.61 22.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.569 ' HB3' HD12 ' A' ' 50' ' ' LEU . 11.1 m-85 -122.62 145.09 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -147.63 112.74 5.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.541 HD12 HD11 ' A' ' 50' ' ' LEU . 55.4 mt -107.98 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 61' ' ' VAL . 43.6 mt-10 -64.7 153.91 38.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 60' ' ' ILE . 47.3 mt -82.84 -15.2 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 59' ' ' GLU . 15.6 m -65.88 -47.22 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 61' ' ' VAL . 50.7 m-70 -64.65 -56.45 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 88' ' ' GLN . 2.2 mt -32.11 147.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.5 t -124.01 -38.61 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -126.18 142.24 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 87' ' ' LEU . 95.1 t -141.08 111.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.608 HD11 ' CB ' ' A' ' 123' ' ' HIS . 31.7 mt -95.72 139.3 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 86' ' ' PHE . 92.4 mt -89.78 120.87 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 82' ' ' ALA . 23.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.594 ' HA ' HG22 ' A' ' 70' ' ' THR . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.905 0.383 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 p -122.37 30.92 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 153.92 -168.75 32.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.7 ' HB3' HD12 ' A' ' 102' ' ' LEU . 1.8 tpt -153.39 146.35 24.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.576 ' HB2' HD21 ' A' ' 69' ' ' LEU . 7.9 t80 -129.16 111.33 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' HG13 ' A' ' 66' ' ' VAL . 16.4 mt -118.71 141.72 48.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 63' ' ' ILE . 22.0 mt-30 -121.35 132.91 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.455 ' CE2' HD13 ' A' ' 58' ' ' ILE . 13.2 p90 -152.76 147.58 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.7 p -101.6 148.88 24.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 92' ' ' PRO . 89.7 t -110.31 136.76 20.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 121.48 8.18 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.371 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.22 -47.1 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -83.49 167.16 17.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 111.148 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -114.59 111.0 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.31 -172.06 22.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.35 137.22 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.7 m -104.37 147.36 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.53 145.44 50.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.418 HD13 ' OH ' ' A' ' 89' ' ' TYR . 5.9 tp -123.13 122.37 38.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -103.17 141.91 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 85' ' ' MET . 62.9 mt -127.35 141.22 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.6 m -142.56 144.06 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.743 HG11 ' HD3' ' A' ' 112' ' ' ARG . 74.5 t -67.76 131.18 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.743 ' HD3' HG11 ' A' ' 104' ' ' VAL . 12.0 tpp85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -36.99 -58.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.479 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -47.86 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.65 -53.88 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.604 ' HA ' HD12 ' A' ' 119' ' ' LEU . 82.6 t -51.97 -44.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.16 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.618 ' CD1' HD23 ' A' ' 18' ' ' LEU . 26.2 t90 -59.45 -33.9 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 116' ' ' VAL . 89.0 mt -63.26 -58.7 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.87 -46.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.87 -49.26 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.485 ' HB2' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -51.3 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.608 ' CB ' HD11 ' A' ' 68' ' ' ILE . 56.1 t-80 -48.35 -53.65 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.38 -60.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.21 83.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -49.52 -31.52 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.94 -38.46 88.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.47 -36.57 81.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 45' ' ' GLN . 12.4 mt -54.41 -49.24 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.8 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.733 0.302 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' CD ' ' N ' ' A' ' 14' ' ' GLN . 1.7 mp0 -78.41 -39.61 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -67.0 -42.14 85.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' HD12 ' A' ' 15' ' ' LEU . 13.7 pttp -66.56 -34.84 78.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 t -76.92 -40.4 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.606 ' HB3' HD12 ' A' ' 41' ' ' LEU . 16.3 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' SER . 83.5 mt -62.21 -55.51 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' LEU . 3.3 t -37.13 -43.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.63 131.69 5.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -121.82 150.64 41.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 23.5 m -78.98 146.11 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.7 m-85 -158.88 155.54 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.787 HD22 ' HB2' ' A' ' 34' ' ' PRO . 33.7 mt -91.05 122.38 33.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.61 131.66 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 m -122.4 105.44 10.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 56' ' ' TYR . 96.9 m-85 -77.53 163.44 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.33 -29.61 63.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -84.68 -37.04 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 122.35 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.05 -29.18 23.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -93.62 138.47 22.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.787 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 140.48 42.81 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -120.42 139.75 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -69.47 107.19 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.31 165.36 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 m -112.01 136.1 51.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.6 t -121.84 123.24 41.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -140.89 164.99 28.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 18' ' ' LEU . 6.3 mt -103.67 166.11 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -76.64 177.93 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -45.9 -57.51 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -97.27 16.45 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 55.27 45.48 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -93.37 -13.91 27.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.547 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.5 m-85 -153.37 170.05 21.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -117.89 147.14 43.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.4 161.31 28.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 56' ' ' TYR . 16.6 mt -142.31 142.28 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -121.67 133.19 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.19 -137.11 4.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.3 -41.77 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -151.64 166.03 32.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -68.78 95.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.554 ' HB3' HD12 ' A' ' 50' ' ' LEU . 7.4 m-85 -99.38 145.99 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 37.2 mt-10 -147.09 129.66 15.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.518 ' CD1' HD11 ' A' ' 50' ' ' LEU . 58.0 mt -116.22 101.53 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 61' ' ' VAL . 2.2 mp0 -66.76 122.03 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.666 HG21 HD13 ' A' ' 129' ' ' LEU . 70.8 mt -59.08 -37.13 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 59' ' ' GLU . 27.5 m -56.56 -22.58 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -92.61 -39.19 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 88' ' ' GLN . 69.6 mt -44.07 124.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -98.47 -51.71 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.3 m -104.5 148.45 26.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.559 HG13 ' CD2' ' A' ' 87' ' ' LEU . 76.8 t -150.78 105.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -138.46 159.51 41.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.453 HD11 ' HB2' ' A' ' 123' ' ' HIS . 63.5 mt -100.96 145.93 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 86' ' ' PHE . 79.8 mt -104.09 134.13 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 83' ' ' THR . 72.2 m -121.74 40.0 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 164.45 173.22 32.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 102' ' ' LEU . 5.3 ttt -153.9 132.24 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 69' ' ' LEU . 8.8 t80 -118.89 116.76 27.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.559 ' CD2' HG13 ' A' ' 66' ' ' VAL . 11.3 mt -128.02 167.61 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 63' ' ' ILE . 57.6 mt-30 -144.14 146.27 32.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -149.64 152.59 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.642 HG22 HG22 ' A' ' 97' ' ' VAL . 42.4 p -103.17 130.5 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 93' ' ' GLY . 15.2 t -112.0 126.17 28.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.743 2.295 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.615 ' H ' HG12 ' A' ' 91' ' ' VAL . . . -109.96 7.55 31.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.5 t -138.19 178.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.3 109.04 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.77 -151.88 17.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.438 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 90' ' ' THR . 58.7 t -122.98 148.85 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.1 m -118.7 142.51 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 99' ' ' GLN . 2.0 pm0 -108.38 169.03 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 tp -139.63 130.15 25.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -112.26 119.28 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 85' ' ' MET . 32.7 mt -114.07 136.31 53.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.4 m -143.93 144.12 31.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.46 125.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.853 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 114' ' ' GLN . 7.8 ptt-85 -51.93 -48.04 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 17.6 tp60 -59.22 -64.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.14 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.788 ' HA ' HD12 ' A' ' 119' ' ' LEU . 88.9 t -40.3 -41.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.07 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.51 ' O ' ' CE3' ' A' ' 118' ' ' TRP . 10.6 t90 -54.51 -32.89 58.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 116' ' ' VAL . 22.0 mt -66.09 -60.61 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.95 70.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.2 tpt -58.47 -47.72 83.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.453 ' HB2' HD11 ' A' ' 68' ' ' ILE . 25.6 t-80 -58.28 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -39.03 -63.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -59.81 -50.86 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.909 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -36.99 -46.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -53.31 -44.84 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ALA . 34.3 mt -55.21 -49.42 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' A' ' 126' ' ' ALA . 10.3 mt -40.0 -61.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 1.5 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.728 0.299 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.1 -36.98 85.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -51.63 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -41.96 -43.38 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.42 -53.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.623 ' HB3' HD12 ' A' ' 41' ' ' LEU . 34.6 mt -58.11 -57.65 11.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -50.91 -52.41 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -43.77 -43.54 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.39 137.69 5.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -129.04 138.41 51.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 m -70.32 138.61 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 99.5 m-85 -145.89 153.11 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 105' ' ' VAL . 17.8 mt -87.32 103.79 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.691 HG13 ' HG ' ' A' ' 100' ' ' LEU . 46.9 t -93.82 134.27 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 31' ' ' SER . 2.5 m -111.42 95.85 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -53.05 -178.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 122.39 6.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.36 36.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 27' ' ' THR . 13.2 t -121.87 90.97 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -58.46 -14.97 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -110.91 131.22 22.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.539 0.685 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.77 155.86 64.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -122.21 144.89 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -87.63 112.25 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.9 mtp -141.66 148.67 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 m -94.61 121.3 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.28 109.34 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -127.14 166.33 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.4 mt -103.57 152.5 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -69.55 175.34 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -50.48 -42.45 54.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -103.19 20.3 17.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 40.57 44.62 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -104.51 -18.26 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -144.28 152.58 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.25 155.3 20.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.67 148.43 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.601 HD11 HD11 ' A' ' 58' ' ' ILE . 62.7 mt -116.52 150.62 37.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -142.39 116.51 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.22 -124.34 1.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -44.55 -47.32 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -147.45 150.17 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -62.21 100.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.597 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.9 m-85 -116.83 163.51 16.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -156.55 132.48 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.601 HD11 HD11 ' A' ' 50' ' ' LEU . 18.3 mt -113.29 100.03 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.717 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.8 pm0 -73.03 127.2 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.0 -20.95 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 59' ' ' GLU . 34.1 m -59.05 -31.01 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.2 m-70 -89.25 -51.97 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 62' ' ' HIS . 16.0 mt -33.83 140.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 t -118.24 -60.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -104.37 136.08 44.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.659 HG13 HD23 ' A' ' 87' ' ' LEU . 91.1 t -141.0 106.2 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.57 157.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 70' ' ' THR . 82.7 mt -94.48 135.89 27.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD11 ' HD2' ' A' ' 101' ' ' LYS . 60.4 mt -78.81 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.545 HG23 HG22 ' A' ' 68' ' ' ILE . 71.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.832 0.349 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.1 t -104.72 24.2 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 166.01 169.61 29.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.744 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -144.69 155.7 43.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 8.5 t80 -132.92 133.38 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 66' ' ' VAL . 3.9 mt -140.11 120.16 13.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -105.35 141.07 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -152.44 142.02 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.795 HG22 HG22 ' A' ' 97' ' ' VAL . 62.1 p -94.19 136.2 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.514 HG13 ' HD2' ' A' ' 92' ' ' PRO . 79.3 t -107.18 135.25 19.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.7 Cg_endo -69.77 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.8 37.5 2.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 95' ' ' GLU . 93.3 m -155.77 157.01 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 111.086 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 94' ' ' THR . 5.6 pt-20 -102.16 110.38 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.44 -176.73 19.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.795 HG22 HG22 ' A' ' 90' ' ' THR . 72.0 t -104.94 143.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.1 m -107.35 142.12 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 10.0 mt-30 -112.9 157.22 21.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.691 ' HG ' HG13 ' A' ' 26' ' ' VAL . 1.5 tp -136.43 117.32 14.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.636 ' HD2' HD11 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.29 142.96 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.533 ' CD2' HG22 ' A' ' 26' ' ' VAL . 58.7 mt -130.85 139.57 50.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.9 m -142.92 140.76 31.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.439 HG11 ' CG ' ' A' ' 112' ' ' ARG . 89.0 t -69.47 133.03 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 27.1 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.439 ' CG ' HG11 ' A' ' 104' ' ' VAL . 2.9 ttm-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 112' ' ' ARG . 24.2 mtp180 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -44.85 -62.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 118' ' ' TRP . . . -57.56 -61.95 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.434 ' HA ' HD12 ' A' ' 119' ' ' LEU . 58.1 t -39.36 -43.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.45 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 39.8 t90 -63.69 -44.98 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 85' ' ' MET . 13.2 mt -61.0 -52.65 64.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 121' ' ' ALA . 8.1 p -62.06 -41.21 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.481 ' HB3' HD21 ' A' ' 18' ' ' LEU . . . -64.59 -40.46 95.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.529 ' O ' ' HB2' ' A' ' 126' ' ' ALA . 10.6 tpt -58.01 -46.09 85.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -61.64 -62.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -51.04 -55.0 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.05 -30.41 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 122' ' ' MET . . . -71.78 -34.93 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -56.9 -59.98 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.5 mt -41.61 -47.97 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.86 -61.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.2 mmmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.723 0.297 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.3 mp0 -58.58 -34.1 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.21 -62.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -53.34 -33.28 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 13' ' ' LYS . 62.2 t -75.99 -45.91 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 41' ' ' LEU . 13.6 mt -61.42 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 mt -41.5 -47.76 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -43.46 -50.63 6.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.06 137.9 8.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.51 -176.43 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -110.5 143.06 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 9.8 m-85 -147.95 178.63 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD11 HG22 ' A' ' 105' ' ' VAL . 62.9 mt -112.2 108.97 18.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.18 132.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -118.1 129.63 55.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.63 146.6 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.75 -35.15 3.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -82.55 -37.73 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -87.82 100.46 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -13.36 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -109.74 138.18 20.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.51 68.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' A' ' 53' ' ' ASP . 42.7 tt0 -129.88 143.24 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 m -67.57 108.22 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mtt -121.3 172.5 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.7 m -120.57 136.42 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . 57.6 m -125.83 130.5 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.4 ptt85 -155.29 167.86 28.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 18' ' ' LEU . 7.7 mt -102.95 169.78 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.5 p -92.84 178.12 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -48.1 -46.95 34.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 45' ' ' GLN . 4.9 m-80 -99.47 24.78 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.486 ' CA ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER 31.29 39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ASN . 44.5 mtp180 -107.57 -2.99 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.458 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 54.9 m-85 -148.07 140.59 24.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.0 mt -105.16 143.57 33.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -129.85 154.94 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 58' ' ' ILE . 8.1 mt -129.84 160.09 34.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -143.66 132.43 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 156.56 -118.45 0.84 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLY . 8.7 m-20 -37.18 -45.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -167.49 168.4 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.57 105.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.471 ' HB3' HD12 ' A' ' 50' ' ' LEU . 6.7 m-85 -121.45 146.52 46.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -144.05 131.94 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.63 ' CD1' HD11 ' A' ' 50' ' ' LEU . 37.7 mt -125.82 111.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.31 140.93 31.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.19 -17.8 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 59' ' ' GLU . 12.2 m -73.92 -16.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -101.1 -31.53 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mt -56.76 122.08 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.8 m -88.8 -67.16 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 66' ' ' VAL . 38.4 m -106.98 156.69 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.929 HG13 ' CD2' ' A' ' 87' ' ' LEU . 48.6 t -148.23 106.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 12.0 pt20 -129.8 155.71 45.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.1 132.15 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.75 145.33 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 83' ' ' THR . 19.6 m -118.91 17.96 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.73 -174.57 43.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.405 ' HB3' HD12 ' A' ' 102' ' ' LEU . 2.3 ttm -151.53 143.58 23.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 31.8 t80 -130.45 100.03 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.929 ' CD2' HG13 ' A' ' 66' ' ' VAL . 12.3 mt -103.48 151.51 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -126.96 128.32 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -140.69 145.31 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.0 p -97.76 141.96 30.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.61 127.21 27.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.34 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.7 -11.7 85.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -123.58 146.65 47.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -91.57 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.37 -178.01 16.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.16 147.5 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.0 m -123.16 135.67 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -108.17 154.62 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.84 123.91 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -104.73 135.3 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 85' ' ' MET . 51.8 mt -127.81 133.64 49.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -138.07 135.38 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.09 127.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.47 HG22 HD11 ' A' ' 25' ' ' LEU . 52.6 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 116' ' ' VAL . 11.6 mmt85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtt-85 -63.65 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -77.58 -66.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.53 -59.14 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.784 ' HA ' HD12 ' A' ' 119' ' ' LEU . 86.2 t -46.62 -44.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.08 -54.36 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 25.7 t90 -52.0 -45.75 64.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 116' ' ' VAL . 44.2 mt -49.39 -71.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.18 -37.12 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.46 -27.3 47.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.6 tpt -72.87 -64.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -54.61 -41.99 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -63.74 -41.21 98.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.63 67.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.961 ' HB1' ' CE1' ' A' ' 130' ' ' TYR . . . -51.61 -33.29 32.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -53.77 -19.63 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.4 mt -83.64 -51.57 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -71.2 -22.19 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.961 ' CE1' ' HB1' ' A' ' 126' ' ' ALA . 3.3 m-30 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' N ' ' HE2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.73 0.3 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -47.76 -26.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.97 -69.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.45 -36.99 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 71.2 t -60.11 -50.2 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.0 mt -63.06 -56.13 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 20' ' ' SER . 73.5 mt -53.9 -52.85 59.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 25.6 t -34.83 -47.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.59 131.74 3.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -120.73 163.07 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.067 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.529 ' CG2' HG23 ' A' ' 36' ' ' THR . 17.1 m -87.22 147.22 25.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 66.4 m-85 -157.22 151.0 24.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' HB2' ' A' ' 34' ' ' PRO . 18.2 mt -89.1 107.57 19.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 100' ' ' LEU . 88.3 t -95.22 120.74 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -105.67 96.17 6.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 91.3 m-85 -72.14 135.79 46.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.29 -37.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -83.96 -41.05 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' PHE . 21.5 m -75.63 81.87 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -47.64 -32.91 6.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -102.52 135.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.715 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.68 153.66 69.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.5 152.32 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.529 HG23 ' CG2' ' A' ' 23' ' ' THR . 56.1 m -74.8 106.0 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.464 ' HE2' ' C ' ' A' ' 51' ' ' ASP . 39.6 mtp -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.4 m -109.28 138.02 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.402 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 84.2 m -126.1 118.27 24.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -139.7 167.78 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 45' ' ' GLN . 6.3 mt -103.08 166.74 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -83.34 177.98 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -43.53 -60.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -96.35 23.42 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' HB3' HD22 ' A' ' 41' ' ' LEU . 68.6 mt-30 46.74 42.89 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -98.02 -25.81 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.64 155.29 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -113.01 142.02 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.967 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.81 149.57 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' A' ' 56' ' ' TYR . 9.1 mt -123.26 159.8 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' C ' ' HE2' ' A' ' 37' ' ' MET . 4.3 m-20 -140.32 116.88 10.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.89 -124.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -46.29 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -152.34 167.14 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -61.36 103.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.658 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.3 m-85 -112.96 150.04 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -157.09 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' HD22 ' A' ' 100' ' ' LEU . 56.9 mt -104.75 100.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.683 ' HB3' HG22 ' A' ' 61' ' ' VAL . 18.8 mp0 -65.74 114.39 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 63' ' ' ILE . 79.1 mt -48.07 -38.13 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 59' ' ' GLU . 19.3 m -50.69 -31.59 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -82.49 -41.59 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 60' ' ' ILE . 67.5 mt -49.26 128.39 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -101.33 -54.95 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.2 m -103.94 146.76 28.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.6 t -146.96 105.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -136.9 160.77 37.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.493 HD11 ' CB ' ' A' ' 123' ' ' HIS . 91.0 mt -102.35 137.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 96.1 mt -89.84 133.13 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.3 p -92.55 -39.2 11.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -143.69 -171.25 13.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -141.94 146.88 36.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -128.46 121.27 28.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.76 138.67 47.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.64 135.65 53.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -154.1 154.81 34.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 97' ' ' VAL . 40.1 p -109.45 131.21 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.63 130.19 56.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.734 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 91.42 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.757 2.305 . . . . 0.0 112.35 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.02 17.88 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -140.4 175.09 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.1 144.38 41.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.63 -173.4 45.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG22 HG22 ' A' ' 90' ' ' THR . 46.7 t -122.2 141.11 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.4 m -107.62 129.13 55.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.1 140.33 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 26' ' ' VAL . 10.3 tp -106.06 150.74 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 45.8 tttm -132.95 123.11 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.479 ' CD2' HG22 ' A' ' 26' ' ' VAL . 34.8 mt -113.91 144.2 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.1 m -143.23 154.35 43.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.627 HG11 ' HG3' ' A' ' 112' ' ' ARG . 85.8 t -73.05 135.95 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.627 ' HG3' HG11 ' A' ' 104' ' ' VAL . 18.5 ttt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -38.21 -45.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.93 -63.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.97 -59.21 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.545 ' HA ' HD12 ' A' ' 119' ' ' LEU . 38.6 t -44.9 -48.23 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.424 ' O ' ' CG1' ' A' ' 120' ' ' VAL . . . -53.06 -51.03 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.542 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 45.7 t90 -56.79 -42.94 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 116' ' ' VAL . 33.8 mt -59.86 -52.83 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.478 ' CG2' ' HE3' ' A' ' 124' ' ' LYS . 5.7 p -63.07 -40.65 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.36 88.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.3 tpt -61.86 -54.46 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.493 ' CB ' HD11 ' A' ' 68' ' ' ILE . 44.4 t-80 -59.36 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 120' ' ' VAL . 28.7 mttt -43.58 -59.4 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -55.58 -50.09 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -34.45 -48.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . 94.9 mttt -41.14 -53.52 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.2 mt -38.5 -53.15 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 126' ' ' ALA . 11.6 mt -40.07 -58.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.717 0.294 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 4.5 pp0? -88.89 -39.82 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.23 -43.45 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' N ' HD12 ' A' ' 15' ' ' LEU . 20.5 pttp -54.1 -33.04 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 117' ' ' ALA . 94.8 t -75.19 -40.33 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 21.4 mt -61.44 -59.34 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 20' ' ' SER . 96.9 mt -48.37 -60.47 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 5.6 t -34.47 -42.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.35 137.86 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -134.9 173.4 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -87.92 147.8 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 20.5 m-85 -155.35 156.25 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.441 ' HG ' ' CG2' ' A' ' 105' ' ' VAL . 35.9 mt -96.01 106.14 18.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.678 HG13 HD11 ' A' ' 100' ' ' LEU . 43.0 t -93.87 130.53 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.27 108.56 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' SER . 57.3 m-85 -77.9 139.5 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -36.07 -40.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.29 -41.8 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 m -73.09 119.43 17.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.51 -21.2 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -110.27 133.52 21.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 144.83 55.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -124.58 149.83 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -69.51 112.58 6.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB2' HG23 ' A' ' 26' ' ' VAL . 22.5 mtp -132.23 151.27 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 m -101.92 124.98 48.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.08 118.71 34.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.61 161.7 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 HD22 ' A' ' 18' ' ' LEU . 9.2 mt -103.95 132.36 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 4.7 t -63.12 173.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.62 -40.04 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.76 -17.7 60.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 54.76 39.97 31.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -121.43 -19.73 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -123.91 140.99 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 mt -101.39 133.04 46.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 42' ' ' SER . 12.8 m-85 -112.47 153.93 26.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 56' ' ' TYR . 19.0 mt -133.82 134.06 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -117.07 132.62 56.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 157.88 -133.12 3.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER -35.49 -45.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -152.69 -179.02 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -87.67 85.08 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.703 ' HB3' HD12 ' A' ' 50' ' ' LEU . 13.3 m-85 -95.08 145.68 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 41.0 mp0 -146.95 123.36 11.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.97 100.08 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.727 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.4 pm0 -67.35 127.73 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.9 mt -58.88 -30.77 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.727 HG22 ' HB2' ' A' ' 59' ' ' GLU . 27.2 m -52.06 -27.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -91.64 -45.38 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mt -43.2 128.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -107.69 -50.72 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.4 m -104.65 131.33 52.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.635 HG13 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -134.3 102.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 15.4 pt20 -131.32 159.29 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 84' ' ' GLY . 72.6 mt -104.9 137.17 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 85.4 mt -90.9 127.39 36.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 82' ' ' ALA . 61.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.738 ' HA ' HG22 ' A' ' 70' ' ' THR . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.891 0.377 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.6 p -83.94 33.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 157.38 -172.45 34.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.725 ' HB3' HD12 ' A' ' 102' ' ' LEU . 3.0 ttt -156.85 128.66 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 28.6 t80 -109.25 122.25 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.635 ' CD2' HG13 ' A' ' 66' ' ' VAL . 9.0 mt -128.1 168.54 15.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -145.84 131.94 19.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 19.4 p90 -140.72 167.07 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -121.5 133.48 55.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.663 ' HB ' HG22 ' A' ' 94' ' ' THR . 9.2 t -100.26 128.92 29.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.01 2.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.336 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLY . . . . . 0.524 ' H ' HG12 ' A' ' 91' ' ' VAL . . . -127.6 17.99 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.663 HG22 ' HB ' ' A' ' 91' ' ' VAL . 1.6 t -141.37 160.97 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.144 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -102.46 111.16 23.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.64 -165.09 12.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.68 152.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.415 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 56.9 m -122.33 136.64 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -111.79 148.38 33.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.678 HD11 HG13 ' A' ' 26' ' ' VAL . 11.2 tp -119.07 139.38 51.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 1.6 ttmp? -121.46 131.08 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 85' ' ' MET . 24.3 mt -122.06 148.02 45.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 104' ' ' VAL . 2.4 m -142.83 164.47 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.692 HG11 ' HG2' ' A' ' 112' ' ' ARG . 13.8 t -97.44 135.09 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.441 ' CG2' ' HG ' ' A' ' 25' ' ' LEU . 22.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.692 ' HG2' HG11 ' A' ' 104' ' ' VAL . 1.2 tmm_? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.815 0.341 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -42.63 99.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -70.42 -55.21 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.01 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.49 -41.69 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' CB ' HG11 ' A' ' 17' ' ' VAL . . . -66.61 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 36.9 t90 -67.91 -44.59 76.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.671 HD22 ' HB2' ' A' ' 85' ' ' MET . 23.8 mt -60.03 -61.69 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.2 p -47.98 -45.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.485 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -65.68 -42.12 91.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -50.83 -51.24 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -65.83 -60.83 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -40.0 -47.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.42 -41.11 69.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.09 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.06 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.45 -32.36 42.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.2 -60.6 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.783 0.325 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.579 HE22 HD23 ' A' ' 15' ' ' LEU . 1.5 pp0? -88.17 -45.12 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 HE22 ' A' ' 14' ' ' GLN . 23.7 mt -40.96 -53.79 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -56.39 -37.9 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.4 t -66.32 -45.54 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 41' ' ' LEU . 15.0 mt -62.26 -51.37 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.5 -60.28 3.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -42.92 -44.45 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.43 134.22 6.13 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.01 -178.69 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 m -107.71 148.8 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -156.94 168.53 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 34' ' ' PRO . 36.2 mt -106.62 103.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -92.64 134.38 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 m -118.16 120.72 38.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -90.22 141.09 29.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -38.52 -41.75 1.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -77.46 -48.8 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -76.2 99.42 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.28 -23.69 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -96.19 135.66 22.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.77 148.6 65.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -122.94 144.63 49.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.0 m -76.33 104.82 7.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 33.0 mtp -118.42 174.06 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.6 m -125.44 128.23 47.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.168 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.2 m -111.48 140.86 45.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -155.26 164.58 38.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' CD1' HD13 ' A' ' 18' ' ' LEU . 6.4 mt -106.11 162.31 13.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -72.79 172.8 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -49.91 -43.25 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -103.73 22.68 14.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 42.5 41.39 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -100.13 -17.93 17.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD1' ' OE1' ' A' ' 59' ' ' GLU . 92.8 m-85 -145.85 149.26 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -100.09 147.51 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.83 141.31 42.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' A' ' 56' ' ' TYR . 25.1 mt -106.76 159.59 16.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.05 118.74 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 176.11 -134.88 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' GLY . 1.9 p-10 -37.87 -41.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.65 162.26 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -72.4 126.59 30.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HB3' HD12 ' A' ' 50' ' ' LEU . 23.8 m-85 -149.81 154.74 38.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.2 pm0 -155.9 136.91 13.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.431 HD11 HD11 ' A' ' 50' ' ' LEU . 10.9 mt -120.7 108.45 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' OE1' ' CD1' ' A' ' 47' ' ' TYR . 9.7 mm-40 -67.13 133.49 49.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 60' ' ' ILE . 62.0 mt -64.31 -12.38 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.7 m -76.73 -33.84 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -80.93 -28.03 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.8 mt -63.53 134.73 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -112.39 -55.4 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -104.55 141.42 36.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.79 110.26 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -139.11 160.26 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.5 mt -105.58 138.73 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.36 124.19 36.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 82' ' ' ALA . 23.2 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 70' ' ' THR . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.3 p -100.03 -27.3 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -157.05 -177.48 30.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.681 ' HB3' HD12 ' A' ' 102' ' ' LEU . 5.1 ttm -141.74 145.78 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 37.1 t80 -123.89 129.66 51.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -135.15 151.12 50.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -128.11 135.76 50.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.534 ' OH ' HD13 ' A' ' 100' ' ' LEU . 5.7 p90 -152.72 146.38 25.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.403 HG22 HG22 ' A' ' 97' ' ' VAL . 66.5 p -98.78 140.2 33.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.674 HG13 ' HD2' ' A' ' 92' ' ' PRO . 91.9 t -92.86 138.81 23.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.68 0.753 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.78 126.75 13.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 2.223 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 -30.16 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -90.67 137.51 32.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -91.29 113.88 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 166.11 11.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 90' ' ' THR . 39.3 t -108.57 137.72 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.8 m -110.19 136.18 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.493 ' CD ' ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -105.04 158.84 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.534 HD13 ' OH ' ' A' ' 89' ' ' TYR . 3.3 tp -136.94 124.16 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -104.38 145.42 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' A' ' 85' ' ' MET . 57.8 mt -131.52 129.4 41.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -137.22 143.24 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.11 132.65 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 114' ' ' GLN . 12.0 mtm180 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -40.14 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' ARG . 30.0 tp60 -74.75 -64.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.01 -57.84 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.72 -38.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.5 -62.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.577 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 26.5 t90 -40.74 -30.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.84 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.04 -37.33 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 14' ' ' GLN . . . -65.82 -34.18 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.47 -54.07 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -63.8 -48.34 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -52.26 -41.44 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.3 40.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.08 -27.08 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -61.04 -56.23 23.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.98 -29.62 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.73 -40.72 79.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.746 0.307 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . 31.4 mt-30 -59.47 -18.53 40.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.85 -43.63 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' N ' HD12 ' A' ' 15' ' ' LEU . 10.7 ptpt -75.71 -39.73 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 84.2 t -68.45 -40.93 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.717 HD22 HD12 ' A' ' 41' ' ' LEU . 19.5 mt -61.83 -61.82 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -46.23 -50.86 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -40.62 -54.91 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.82 145.21 18.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -132.96 155.67 48.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -87.96 144.85 26.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 82.2 m-85 -153.66 175.6 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 34' ' ' PRO . 21.3 mt -104.44 112.48 25.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -102.54 135.13 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -124.72 108.65 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -84.86 169.56 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.53 92.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -78.12 -42.82 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -80.29 119.05 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.2 -30.72 34.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -102.62 139.05 19.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.74 143.33 50.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -121.0 146.97 46.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 m -69.59 106.92 3.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 mtt -121.39 176.74 5.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.0 m -126.4 127.88 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.1 m -118.11 117.46 29.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -140.97 163.39 33.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.717 HD12 HD22 ' A' ' 18' ' ' LEU . 7.7 mt -102.98 129.62 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.56 168.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -51.79 -34.52 40.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.93 -20.14 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 56.67 40.12 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -126.38 -2.43 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -146.5 145.48 30.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.03 144.96 29.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -133.3 146.26 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 56' ' ' TYR . 12.4 mt -118.66 155.54 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -149.56 133.41 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 159.12 -131.22 2.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' GLY . 28.5 t70 -35.48 -48.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -150.1 168.95 22.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 5.9 p80 -71.92 122.3 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.82 ' HB3' HD12 ' A' ' 50' ' ' LEU . 11.0 m-85 -138.88 150.58 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -149.87 126.45 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.66 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.731 ' HB3' HG22 ' A' ' 61' ' ' VAL . 40.1 mt-10 -66.32 113.03 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 59' ' ' GLU . 33.6 m -61.11 -28.78 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.619 ' HD2' HG23 ' A' ' 61' ' ' VAL . 8.0 m170 -85.19 -41.9 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -45.95 119.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -92.82 -59.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -104.01 146.38 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.487 HG13 HD23 ' A' ' 87' ' ' LEU . 66.6 t -142.03 105.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -135.85 146.44 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 84' ' ' GLY . 90.1 mt -102.67 136.03 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.4 mt -85.79 122.76 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.896 0.379 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.8 m -94.23 -37.36 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.55 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -147.2 178.55 24.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.495 ' SD ' HD12 ' A' ' 102' ' ' LEU . 5.3 ttm -140.22 155.44 46.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 28.1 t80 -133.08 146.15 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.487 HD23 HG13 ' A' ' 66' ' ' VAL . 11.1 mt -151.2 140.77 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -122.63 128.85 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -145.01 175.05 10.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.1 p -120.28 143.31 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 92' ' ' PRO . 84.4 t -90.72 138.67 26.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.99 27.61 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 m -145.37 139.82 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.757 0.313 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.3 114.38 26.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 174.35 13.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.7 t -120.64 133.71 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.5 m -105.66 135.41 47.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -113.62 143.26 44.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD23 HD21 ' A' ' 102' ' ' LEU . 1.6 tp -113.18 158.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -137.98 135.71 36.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.495 HD12 ' SD ' ' A' ' 85' ' ' MET . 6.1 mt -127.44 131.98 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -143.66 150.9 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -76.79 122.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.8 0.333 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -50.07 -41.83 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -57.35 -62.02 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.33 -68.05 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' A' ' 119' ' ' LEU . 87.6 t -39.9 -40.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -51.51 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 16.7 t90 -62.63 -28.92 70.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 116' ' ' VAL . 67.3 mt -61.13 -60.64 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.42 -34.1 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.85 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.54 ' HG3' ' CH2' ' A' ' 118' ' ' TRP . 1.2 tmt? -43.68 -68.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -42.02 -62.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 128' ' ' LEU . 14.6 mttp -40.47 -39.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -77.92 -41.51 36.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.505 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -42.27 -29.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -81.66 -33.11 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 124' ' ' LYS . 3.6 mm? -55.9 -39.58 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.82 -56.9 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.3 mtpp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -81.57 -41.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.952 HD12 ' N ' ' A' ' 16' ' ' LYS . 3.5 pp -66.22 -45.48 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.952 ' N ' HD12 ' A' ' 15' ' ' LEU . 15.5 pttp -60.64 -43.87 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 13' ' ' LYS . 76.3 t -64.91 -42.67 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 76.4 mt -63.5 -63.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -46.35 -48.15 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 t -42.07 -36.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.94 135.02 2.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.686 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -128.49 157.37 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -89.2 142.34 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.686 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.3 m-85 -154.28 161.86 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.874 HD22 ' HB2' ' A' ' 34' ' ' PRO . 13.7 mt -97.6 119.6 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 100' ' ' LEU . 65.8 t -104.66 122.1 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.32 116.32 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.02 135.42 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.63 -33.1 1.45 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 32.3 t-20 -73.9 -46.83 42.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -89.02 131.07 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.05 -25.56 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -105.31 138.99 19.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.874 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.82 170.3 16.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -141.72 143.32 33.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.8 m -66.29 112.01 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 41.7 mtp -131.16 149.33 52.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -99.19 124.1 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 27.1 m -109.68 119.11 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -138.79 161.85 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 18' ' ' LEU . 6.8 mt -105.01 165.02 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -75.78 175.29 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -44.01 -55.96 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -99.68 19.16 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 53.12 48.11 22.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.536 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 47.2 mtp180 -97.83 -10.33 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 46' ' ' ARG . 9.9 m-85 -159.44 153.88 24.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.05 149.55 23.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.05 134.4 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 34.9 mt -112.91 157.81 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -138.64 144.21 39.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 148.62 -132.46 4.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' GLY . 14.6 m-20 -36.34 -49.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -148.08 178.76 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -83.41 99.24 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -110.99 152.45 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -155.21 122.39 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.27 99.94 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.805 ' HB3' HG22 ' A' ' 61' ' ' VAL . 41.0 mt-10 -64.48 118.97 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.1 mt -54.22 -26.63 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 59' ' ' GLU . 18.0 m -61.88 -18.05 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -99.17 -35.52 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 88' ' ' GLN . 62.9 mt -53.43 134.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.3 m -105.56 -63.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.0 m -104.08 139.53 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 87' ' ' LEU . 86.3 t -134.97 100.97 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -126.38 159.41 33.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 123' ' ' HIS . 80.3 mt -108.58 142.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.458 HD13 ' HE3' ' A' ' 101' ' ' LYS . 84.4 mt -89.17 101.71 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -92.58 24.64 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 161.99 -170.14 37.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.535 ' HB2' HD22 ' A' ' 119' ' ' LEU . 3.6 ttt -148.44 151.19 34.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -129.83 113.55 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.721 ' CD2' HG13 ' A' ' 66' ' ' VAL . 6.7 mt -119.46 152.76 36.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 63' ' ' ILE . 28.4 mt-30 -126.94 140.83 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 16.0 p90 -154.43 168.39 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.9 p -116.94 143.0 46.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.681 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.4 t -119.1 138.94 26.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.676 0.75 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.681 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.1 Cg_endo -69.75 130.65 19.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.4 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.56 -49.0 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -76.36 171.51 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 111.123 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.68 125.37 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.38 -161.25 13.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -124.62 138.15 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.464 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 92.7 m -100.35 152.34 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -125.32 151.4 46.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.428 HD11 ' CG1' ' A' ' 26' ' ' VAL . 5.0 tp -124.53 117.41 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 69' ' ' LEU . 52.3 tttt -98.19 132.54 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 85' ' ' MET . 73.8 mt -118.91 137.76 53.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.3 m -141.32 132.0 25.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' HB1' ' A' ' 115' ' ' ALA . 69.9 t -67.84 130.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.763 ' O ' HG23 ' A' ' 116' ' ' VAL . 13.0 mmt180 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -49.79 -53.97 22.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -60.85 -66.23 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 104' ' ' VAL . . . -43.71 -59.14 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 112' ' ' ARG . 98.9 t -47.55 -51.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.71 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.518 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 27.7 t90 -54.75 -40.92 69.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 85' ' ' MET . 66.5 mt -61.91 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.66 -38.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.84 41.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' HD11 ' A' ' 41' ' ' LEU . 15.4 tpt -47.9 -45.02 30.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.555 ' HD1' ' C ' ' A' ' 123' ' ' HIS . 1.3 t-80 -67.15 -47.13 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -53.22 -54.89 29.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -53.0 58.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -37.38 -33.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -60.53 -54.39 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.68 -45.11 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.02 -53.14 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.738 0.304 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -79.09 -38.01 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.6 mt -50.18 -58.81 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 12.5 pttp -52.41 -38.11 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.475 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 54.6 t -69.64 -37.81 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 12.4 mt -70.52 -66.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -48.69 -43.07 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -46.29 -52.67 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.53 154.57 27.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.447 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.865 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -142.62 179.94 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 m -105.6 135.88 46.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.865 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 6.3 m-85 -148.26 172.48 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.822 HD22 ' HB2' ' A' ' 34' ' ' PRO . 13.8 mt -103.63 113.8 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' HD11 ' A' ' 100' ' ' LEU . 52.4 t -100.78 129.57 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 126.62 55.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -97.43 140.38 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.68 -27.84 2.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -80.1 -45.9 17.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 98.7 p -92.85 131.87 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -13.27 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -101.79 129.34 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.822 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.79 150.6 68.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.598 ' C ' HD23 ' A' ' 25' ' ' LEU . 14.4 tt0 -128.33 142.26 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -70.41 105.1 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mtp -120.59 175.55 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -119.86 128.0 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.8 122.97 42.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 161.32 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 45' ' ' GLN . 7.3 mt -102.88 121.69 43.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.02 177.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -42.89 135.32 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.9 t-20 51.72 25.02 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.564 ' HB2' HD22 ' A' ' 41' ' ' LEU . 24.2 pt20 44.13 45.15 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 14.3 mmm180 -93.51 -4.27 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 90.5 m-85 -157.85 161.59 38.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.7 mt -119.94 133.34 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -119.24 151.95 37.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD11 HD11 ' A' ' 58' ' ' ILE . 15.4 mt -125.6 158.91 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -141.49 136.94 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . . . 158.34 -151.38 22.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' GLY . 4.9 m-20 -36.39 -31.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 52' ' ' GLY . 19.9 m -152.4 143.74 23.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -77.38 107.74 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.535 ' CB ' HD12 ' A' ' 50' ' ' LEU . 13.1 m-85 -104.03 168.91 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -148.47 116.31 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.653 HD11 HD11 ' A' ' 50' ' ' LEU . 44.1 mt -113.54 100.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.734 ' HB2' HG22 ' A' ' 61' ' ' VAL . 2.1 pm0 -78.53 122.25 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.2 mt -50.18 -33.25 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 59' ' ' GLU . 18.3 m -52.66 -28.41 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -89.65 -48.93 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.9 mt -38.05 128.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -100.63 -61.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -103.96 149.14 25.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.595 HG13 HD23 ' A' ' 87' ' ' LEU . 85.7 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -135.33 159.15 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 84' ' ' GLY . 49.1 mt -108.35 135.17 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.81 128.53 34.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.8 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.66 ' HB3' HG13 ' A' ' 116' ' ' VAL . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.2 p -85.97 -25.59 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -171.82 -159.88 19.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.3 ttm -150.49 157.55 43.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 23.8 t80 -128.32 142.66 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD23 HG13 ' A' ' 66' ' ' VAL . 4.6 mt -148.21 142.87 26.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -124.51 131.57 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -145.91 171.4 14.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.6 p -119.31 145.59 46.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 92' ' ' PRO . 58.1 t -104.71 133.84 19.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.69 95.06 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.41 10.11 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -124.09 162.99 22.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 111.123 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -106.35 110.63 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.88 -169.96 13.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.19 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.6 m -109.26 131.89 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 16.7 pt20 -104.13 164.8 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD11 ' CG1' ' A' ' 26' ' ' VAL . 6.9 tp -140.6 138.62 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -118.07 127.53 53.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.54 ' CD2' HG22 ' A' ' 26' ' ' VAL . 91.3 mt -117.39 136.89 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -140.1 145.57 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.5 t -71.24 148.36 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.567 HG11 ' HG ' ' A' ' 25' ' ' LEU . 16.4 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 18.2 mtt85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 41.9 mtt180 -37.5 -49.51 1.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -49.37 -68.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 24' ' ' PHE . . . -56.05 -57.66 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' A' ' 119' ' ' LEU . 82.0 t -42.55 -47.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.15 81.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.574 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 12.1 t90 -65.89 -30.67 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 116' ' ' VAL . 65.7 mt -66.4 -48.51 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.8 -35.43 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.87 -46.81 87.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.546 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.1 tmt? -50.0 -68.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' MET . 0.9 OUTLIER -37.8 -69.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -42.86 -35.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.485 ' HB1' ' OE1' ' A' ' 45' ' ' GLN . . . -73.37 -41.66 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.96 -35.47 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.16 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.19 -34.66 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.39 -49.72 70.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.765 0.317 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' LEU . 2.0 mp0 -84.39 -49.18 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' GLN . 82.8 mt -34.2 -61.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -48.19 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.5 t -52.25 -44.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.597 HD22 HD12 ' A' ' 41' ' ' LEU . 17.7 mt -64.42 -63.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 mt -46.55 -45.08 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -43.26 -45.42 5.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.68 130.96 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.669 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -120.08 164.25 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 39.5 m -95.22 147.03 23.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.669 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 34.7 m-85 -159.88 171.93 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 35' ' ' GLU . 15.0 mt -109.59 123.49 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -108.53 127.82 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -110.7 109.15 19.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 51.6 m-85 -87.43 139.71 30.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.24 -39.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -79.17 -59.54 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.63 97.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.61 -20.55 65.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -109.6 134.47 20.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.576 ' HB2' HD22 ' A' ' 25' ' ' LEU . 54.5 Cg_endo -69.7 134.16 27.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.652 ' C ' HD23 ' A' ' 25' ' ' LEU . 5.3 tm-20 -108.76 151.59 26.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -79.69 106.91 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.2 mtp -122.71 156.22 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -103.24 123.81 47.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 t -104.17 122.76 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -142.53 167.26 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.597 HD12 HD22 ' A' ' 18' ' ' LEU . 4.9 mt -108.98 157.29 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.42 166.91 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -46.84 -44.43 19.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.31 5.15 48.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 55.69 52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' CG ' ' A' ' 47' ' ' TYR . 6.5 mmm180 -108.03 -7.54 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.432 ' O ' HD23 ' A' ' 41' ' ' LEU . 8.3 m-85 -155.97 170.27 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 ' CE ' ' A' ' 122' ' ' MET . 44.9 mt -116.6 140.98 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -124.48 150.51 45.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' A' ' 56' ' ' TYR . 16.9 mt -127.79 147.07 50.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.48 118.31 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.37 -124.47 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -41.62 -48.55 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -152.6 164.56 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -69.03 96.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HB3' HD12 ' A' ' 50' ' ' LEU . 12.5 m-85 -109.42 149.57 29.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -149.89 117.61 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CD1' HD22 ' A' ' 100' ' ' LEU . 35.4 mt -100.07 103.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HB3' HG22 ' A' ' 61' ' ' VAL . 1.2 mp0 -69.61 122.92 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.0 -40.45 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.56 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.3 m -47.63 -27.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -88.47 -47.11 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 88' ' ' GLN . 32.7 mt -42.04 131.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -105.69 -57.1 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -103.96 145.85 29.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.528 HG13 HD23 ' A' ' 87' ' ' LEU . 93.3 t -147.52 107.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.29 160.73 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.95 137.58 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 86' ' ' PHE . 76.2 mt -84.45 136.15 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.883 0.373 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.5 m -105.28 -39.09 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -150.68 -161.32 9.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.462 ' HB2' HD22 ' A' ' 119' ' ' LEU . 2.0 tpt -144.87 153.22 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.512 ' HB2' HD21 ' A' ' 69' ' ' LEU . 41.6 t80 -133.36 107.58 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.528 HD23 HG13 ' A' ' 66' ' ' VAL . 6.6 mt -120.59 124.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.699 ' O ' HG23 ' A' ' 63' ' ' ILE . 47.5 mt-30 -101.57 154.31 18.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -169.76 163.4 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 97' ' ' VAL . 69.2 p -109.91 161.39 15.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' HB ' HG22 ' A' ' 94' ' ' THR . 88.1 t -125.18 131.15 24.01 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 107.13 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.32 -41.49 1.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 91' ' ' VAL . 4.7 t -87.69 166.79 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 111.123 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -111.08 118.7 36.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.28 -166.17 14.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.429 HG22 HG22 ' A' ' 90' ' ' THR . 90.0 t -126.41 142.66 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.386 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -107.3 147.11 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.87 153.68 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 58' ' ' ILE . 5.0 tp -126.66 139.1 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -120.53 127.96 52.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 86.5 mt -115.2 141.03 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.0 m -129.73 145.27 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.98 134.54 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 13.8 ttt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.757 0.313 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 10.0 mpt_? -38.16 -47.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.79 -60.81 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -43.74 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 120' ' ' VAL . 89.8 t -44.0 -51.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.21 -38.81 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.59 ' CD1' HD23 ' A' ' 18' ' ' LEU . 35.6 t90 -76.93 -47.04 22.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.462 HD22 ' HB2' ' A' ' 85' ' ' MET . 72.3 mt -52.49 -48.56 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 116' ' ' VAL . 12.6 p -72.04 -27.49 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.67 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.473 ' CE ' HD11 ' A' ' 48' ' ' LEU . 7.4 tpt -56.27 -52.09 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -56.39 -34.32 66.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -72.41 -48.47 41.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -63.63 -55.42 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.13 -40.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -54.9 -49.31 71.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 125' ' ' ALA . 42.5 mt -56.3 -43.82 79.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.44 -55.14 23.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.742 0.306 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 17' ' ' VAL . 90.3 mm-40 -85.68 -37.49 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -42.57 -40.35 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 4.5 ptpp? -70.43 -31.4 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.581 HG11 ' HB1' ' A' ' 117' ' ' ALA . 55.2 t -77.61 -39.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 41' ' ' LEU . 16.8 mt -62.77 -49.43 75.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' SER . 43.9 mt -61.61 -46.53 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' LEU . 1.8 m -36.59 -48.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.23 132.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -135.34 146.47 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.504 ' CG2' HG23 ' A' ' 36' ' ' THR . 18.7 m -72.19 142.29 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 95.8 m-85 -148.42 160.83 42.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' HG22 ' A' ' 105' ' ' VAL . 12.0 mt -93.56 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG1' HD11 ' A' ' 100' ' ' LEU . 97.3 t -103.33 129.04 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 31' ' ' SER . 14.7 m -100.5 97.66 8.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLY . 14.6 m-85 -75.25 155.86 36.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.37 -116.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.6 39.59 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 27' ' ' THR . 38.9 t -79.77 102.18 8.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -37.96 -37.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 16.5 ttmt -105.88 130.62 22.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.569 ' HG2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.74 -173.86 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -136.6 139.52 42.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.504 HG23 ' CG2' ' A' ' 23' ' ' THR . 23.3 m -64.15 107.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 30.7 mtp -130.95 161.27 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.4 m -107.56 131.28 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.98 112.6 20.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -147.11 165.79 28.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 18' ' ' LEU . 9.5 mt -103.08 137.37 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -62.22 165.85 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -47.15 -39.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -70.76 -25.48 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 62.21 42.42 9.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -124.13 -19.45 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.09 148.59 49.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.736 HD11 ' SD ' ' A' ' 122' ' ' MET . 28.4 mt -99.39 142.23 31.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -125.18 156.69 38.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 56' ' ' TYR . 28.6 mt -126.34 154.21 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.02 109.4 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.98 -125.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.52 -42.23 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -156.25 177.71 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -70.81 103.89 2.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HB3' HD12 ' A' ' 50' ' ' LEU . 12.1 m-85 -122.98 157.94 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -156.98 138.84 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.492 ' CG2' HD11 ' A' ' 63' ' ' ILE . 72.1 mt -105.06 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HB3' HG22 ' A' ' 61' ' ' VAL . 10.2 mt-10 -64.54 101.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' VAL . 58.4 mt -43.38 -51.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.434 HG22 ' HB3' ' A' ' 59' ' ' GLU . 7.0 m -36.34 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.1 m-70 -75.62 -54.76 6.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.492 HD11 ' CG2' ' A' ' 58' ' ' ILE . 50.4 mt -33.99 121.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.3 p -101.14 -56.01 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.793 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -103.94 141.46 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.649 HG13 ' CD2' ' A' ' 87' ' ' LEU . 74.5 t -144.82 105.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -133.4 160.68 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -106.37 140.92 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.26 122.46 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.363 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.5 t -92.07 -38.95 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.44 179.52 16.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.54 ' HB2' HD22 ' A' ' 119' ' ' LEU . 1.0 OUTLIER -148.0 154.81 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 85' ' ' MET . 8.5 t80 -139.99 128.47 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.649 ' CD2' HG13 ' A' ' 66' ' ' VAL . 28.6 mt -135.26 165.53 25.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.36 135.54 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -159.55 156.34 27.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.0 p -99.17 142.46 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 92' ' ' PRO . 87.4 t -110.16 138.86 20.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.597 0.713 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.76 133.13 24.82 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.46 -43.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 14.8 t -82.07 168.91 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -116.48 125.89 52.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.42 -165.97 12.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.97 134.68 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 94.1 m -109.09 129.44 55.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -110.82 147.85 33.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.624 HD11 ' CG1' ' A' ' 26' ' ' VAL . 3.0 tp -116.8 159.41 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -138.13 145.41 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 26' ' ' VAL . 7.1 mt -131.5 135.6 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.1 m -138.51 148.21 44.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.38 130.82 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.67 HG22 ' HG ' ' A' ' 25' ' ' LEU . 42.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -47.83 -42.77 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 41.7 tp60 -63.76 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.56 -63.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.53 -44.04 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.581 ' HB1' HG11 ' A' ' 17' ' ' VAL . . . -49.69 -50.35 44.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -64.21 -48.34 76.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 85' ' ' MET . 97.3 mt -50.29 -46.24 55.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 117' ' ' ALA . 9.4 p -74.21 -36.04 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.72 -54.79 42.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.736 ' SD ' HD11 ' A' ' 48' ' ' LEU . 7.6 tpt -49.21 -60.33 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -46.37 -48.75 18.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -53.21 -47.45 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.81 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.1 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -53.22 -49.96 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.6 -42.79 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.06 -60.21 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -69.17 -17.77 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.29 -71.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -47.2 -38.76 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.63 -43.98 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.746 ' HB3' HD12 ' A' ' 41' ' ' LEU . 36.1 mt -66.54 -60.94 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -39.06 -54.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -44.01 -52.93 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.92 154.81 31.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -137.9 139.68 39.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.077 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.523 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 5.2 m -69.32 130.7 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 23.8 m-85 -141.17 172.8 12.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.918 HD22 ' HB2' ' A' ' 34' ' ' PRO . 11.9 mt -105.16 116.94 32.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.05 132.78 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -118.91 135.73 54.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.101 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -113.44 160.12 18.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.21 -11.5 52.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -97.07 -36.25 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.6 p -96.79 119.56 35.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -7.67 57.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.7 138.26 25.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.563 0.696 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.918 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.77 145.36 56.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.431 ' C ' HD23 ' A' ' 25' ' ' LEU . 4.3 tp10 -120.12 140.66 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 m -70.87 109.63 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.6 mtp -128.79 153.97 46.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 m -93.09 147.55 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -135.39 126.76 28.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -155.94 166.5 33.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.4 mt -103.62 150.59 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -66.9 169.76 7.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -47.77 -40.36 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -92.08 -13.74 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 66.67 39.96 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -104.24 -19.32 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -135.79 155.26 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -106.09 140.07 39.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.465 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.7 m-85 -118.94 144.94 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.562 HD11 HD12 ' A' ' 58' ' ' ILE . 38.0 mt -131.34 120.0 22.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -111.4 138.4 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.63 -133.7 3.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.15 -47.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -146.15 158.08 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 55' ' ' HIS . 13.5 p80 -73.33 115.02 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -124.41 150.34 45.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -146.17 112.98 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 50' ' ' LEU . 33.9 mt -107.54 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.31 132.65 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 60' ' ' ILE . 73.6 mt -64.49 -8.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -77.94 -27.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.3 -25.31 19.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 88' ' ' GLN . 23.9 mt -61.65 135.69 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t -111.39 -53.96 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.3 m -109.38 141.48 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 87' ' ' LEU . 70.3 t -143.23 106.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.98 156.83 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.7 mt -104.05 137.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.56 111.02 19.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.9 p -99.67 -24.93 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.03 169.96 42.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpp -122.75 147.2 46.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -124.61 121.46 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 66' ' ' VAL . 4.0 mt -130.68 140.78 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 63' ' ' ILE . 9.5 mt-30 -116.95 139.54 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 58' ' ' ILE . 11.1 p90 -158.35 146.16 18.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.859 HG22 HG22 ' A' ' 97' ' ' VAL . 40.8 p -95.49 137.27 34.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 92' ' ' PRO . 68.7 t -85.99 134.35 39.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.76 104.73 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.84 21.15 8.8 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -142.91 145.89 33.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.53 123.81 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.02 15.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.859 HG22 HG22 ' A' ' 90' ' ' THR . 87.9 t -104.53 140.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 99' ' ' GLN . 86.5 m -105.37 153.55 21.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.41 ' N ' HG22 ' A' ' 98' ' ' THR . 1.3 mp0 -119.9 164.22 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -136.62 136.4 39.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -123.72 134.0 53.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.7 mt -123.09 152.01 41.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.5 m -141.61 147.49 37.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.433 HG11 ' HD3' ' A' ' 112' ' ' ARG . 61.7 t -72.8 124.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.433 ' HD3' HG11 ' A' ' 104' ' ' VAL . 12.0 tpp180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -49.4 -56.4 9.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 37.3 tp60 -51.96 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -44.19 -68.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.5 t -43.0 -50.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 114' ' ' GLN . . . -45.9 -48.94 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 30.6 t90 -66.14 -46.26 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.02 -55.27 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 121' ' ' ALA . 6.0 p -67.55 -43.79 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -57.03 -27.94 62.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 9.0 tpt -68.73 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -57.85 -47.56 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -55.13 -51.33 66.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 -21.78 60.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.594 ' O ' ' CE1' ' A' ' 130' ' ' TYR . . . -72.12 -22.46 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -70.94 -57.55 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.6 mt -37.81 -33.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -57.15 -61.63 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 11.4 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.786 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.704 0.288 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -77.35 -56.01 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -54.95 -43.68 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.77 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.7 ptmm? -59.55 -37.15 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 13' ' ' LYS . 58.4 t -67.86 -43.37 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.729 HD13 ' CD1' ' A' ' 41' ' ' LEU . 49.3 mt -57.94 -41.89 83.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -66.86 -51.05 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -40.45 -45.58 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 126.6 3.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.683 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . . . -121.09 165.37 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 24' ' ' PHE . 47.7 m -95.51 146.88 24.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CE1' ' HB3' ' A' ' 22' ' ' ALA . 37.5 m-85 -157.58 150.1 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.855 HD22 ' HB2' ' A' ' 34' ' ' PRO . 10.8 mt -84.43 104.07 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -92.41 108.34 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -93.43 123.06 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' GLU . 26.3 m-85 -89.97 142.5 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.22 81.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -72.73 -41.95 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.6 m -94.42 -7.27 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' PHE . 13.2 mt-10 38.82 24.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.2 ttmt -128.52 137.01 30.0 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.602 0.715 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PRO . . . . . 0.855 ' HB2' HD22 ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.75 159.45 53.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -149.2 143.95 26.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -78.67 104.58 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.1 mtp -130.49 168.76 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.5 m -115.46 130.77 56.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -115.8 114.07 24.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -135.54 165.26 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' CD1' HD13 ' A' ' 18' ' ' LEU . 8.5 mt -102.88 146.07 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -60.11 178.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -52.53 -44.29 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -103.62 22.32 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.436 ' HB3' HD13 ' A' ' 41' ' ' LEU . 10.8 mp0 41.47 45.38 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -107.97 -25.88 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -132.09 144.14 50.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.8 mt -102.22 157.29 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -148.13 156.12 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -129.37 159.76 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.74 124.15 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 171.15 -134.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' GLY . 18.2 p-10 -37.69 -46.02 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -153.06 177.78 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -77.95 119.76 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -130.16 152.5 49.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -154.79 132.39 11.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.6 mt -112.27 99.98 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.648 ' HB3' HG22 ' A' ' 61' ' ' VAL . 4.4 mt-10 -63.62 112.84 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 63' ' ' ILE . 80.1 mt -48.06 -40.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 59' ' ' GLU . 34.0 m -50.02 -30.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -82.88 -47.45 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.655 HG23 ' O ' ' A' ' 88' ' ' GLN . 78.7 mt -42.14 134.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -111.4 -36.16 5.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -121.73 143.86 49.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.543 HG13 ' CD2' ' A' ' 87' ' ' LEU . 89.9 t -146.87 105.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -135.89 156.92 48.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 123' ' ' HIS . 67.5 mt -102.96 143.63 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD11 ' HG3' ' A' ' 101' ' ' LYS . 93.7 mt -89.93 109.84 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 82' ' ' ALA . 82.6 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' ' 70' ' ' THR . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.854 0.359 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.6 p -103.28 38.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.62 176.68 21.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.771 ' HB3' HD12 ' A' ' 102' ' ' LEU . 2.1 tpt -141.06 152.26 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -135.28 112.82 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.543 ' CD2' HG13 ' A' ' 66' ' ' VAL . 14.1 mt -124.87 149.65 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.655 ' O ' HG23 ' A' ' 63' ' ' ILE . 30.0 mt-30 -123.83 154.82 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 17.1 p90 -169.54 154.25 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.543 HG22 HG22 ' A' ' 97' ' ' VAL . 27.0 p -111.52 142.1 44.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.25 130.3 23.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.52 -41.41 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -88.33 152.13 22.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.151 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -94.31 128.17 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.2 179.62 24.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 90' ' ' THR . 77.4 t -113.9 146.19 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 90.6 m -108.26 130.11 55.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -104.47 171.67 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.2 tp -144.21 120.19 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.501 ' HG3' HD11 ' A' ' 69' ' ' LEU . 7.5 ttpt -114.28 124.1 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' A' ' 85' ' ' MET . 47.6 mt -108.21 146.75 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.7 m -142.64 150.45 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.739 HG11 ' HG2' ' A' ' 112' ' ' ARG . 89.3 t -73.74 140.62 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.739 ' HG2' HG11 ' A' ' 104' ' ' VAL . 7.9 mtt85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -38.16 -44.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -77.98 -45.66 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.79 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.856 ' HA ' HD12 ' A' ' 119' ' ' LEU . 91.0 t -48.15 -47.52 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.02 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 17.5 t90 -67.45 -45.67 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 116' ' ' VAL . 27.2 mt -49.46 -59.92 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.4 p -62.07 -43.53 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -51.41 -44.43 62.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.3 tpt -58.9 -60.99 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 3.5 t-80 -52.1 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -39.13 -61.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.44 -46.47 83.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -50.01 -56.85 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 mt -51.26 -53.23 37.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -40.22 -61.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.749 0.309 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -53.6 -22.37 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -46.2 -71.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -39.85 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.434 HG13 ' OE1' ' A' ' 114' ' ' GLN . 62.6 t -59.71 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.46 HD22 HD12 ' A' ' 41' ' ' LEU . 95.0 mt -63.1 -58.81 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.4 mt -55.52 -52.84 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.0 p -42.01 -50.93 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.91 146.24 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -132.39 164.31 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 m -83.64 144.42 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.1 m-85 -148.93 150.83 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.7 mt -93.35 108.49 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.609 HG22 ' CD2' ' A' ' 102' ' ' LEU . 58.4 t -95.91 122.35 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -106.51 101.91 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -75.63 147.64 39.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.44 -48.86 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -74.21 -51.86 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 m -62.85 87.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.91 -30.22 33.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -103.21 135.24 19.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 142.59 48.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -114.25 155.49 26.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -81.23 111.44 17.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtp -125.68 176.5 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.3 m -127.13 131.22 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 t -122.95 119.4 30.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -142.22 164.03 31.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 47' ' ' TYR . 3.9 mt -104.69 132.73 50.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 6.0 t -59.34 177.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -52.87 -48.68 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -60.4 -19.63 56.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 52.37 42.04 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' HD12 ' A' ' 60' ' ' ILE . 23.1 mmt180 -124.7 -24.37 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.606 ' O ' HD23 ' A' ' 41' ' ' LEU . 72.8 m-85 -120.51 147.7 44.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -98.59 147.21 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 42' ' ' SER . 68.9 m-85 -136.82 144.01 43.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.758 HD11 HD11 ' A' ' 58' ' ' ILE . 14.7 mt -115.4 160.76 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -149.17 128.69 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 165.04 -133.6 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-20 -34.46 -43.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.4 m -152.82 171.92 17.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -76.49 110.39 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.744 ' HB3' HD12 ' A' ' 50' ' ' LEU . 9.2 m-85 -121.17 157.27 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 36.1 mt-10 -150.92 124.24 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.758 HD11 HD11 ' A' ' 50' ' ' LEU . 40.8 mt -106.85 100.04 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.13 109.04 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.74 HD12 ' O ' ' A' ' 46' ' ' ARG . 49.4 mt -48.74 -47.13 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.412 ' H ' HG13 ' A' ' 61' ' ' VAL . 3.2 m -48.42 -36.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.24 -38.62 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 60' ' ' ILE . 49.3 mt -51.6 122.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -95.63 -54.05 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -104.03 145.32 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' ' 87' ' ' LEU . 83.9 t -144.26 105.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -133.4 160.67 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.591 HD11 ' HB2' ' A' ' 123' ' ' HIS . 96.4 mt -107.16 134.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD13 ' HE2' ' A' ' 101' ' ' LYS . 94.8 mt -84.05 124.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.836 0.351 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 83' ' ' THR . 12.3 t -123.54 43.36 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 177.84 176.61 45.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.534 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.456 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.6 ttm -162.6 133.99 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 34.1 t80 -121.78 114.35 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' A' ' 66' ' ' VAL . 15.5 mt -119.04 155.12 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -133.23 131.62 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.403 ' OH ' HD13 ' A' ' 100' ' ' LEU . 9.9 p90 -146.87 165.45 29.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -114.86 140.2 49.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.76 128.81 27.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.77 -32.99 4.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.4 t -96.56 169.39 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 111.117 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.98 117.45 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.91 -178.63 16.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.4 143.99 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.6 m -111.28 132.19 54.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.1 mt-30 -106.48 145.09 32.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 26' ' ' VAL . 13.2 tp -120.01 131.78 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.503 ' HE2' HD13 ' A' ' 69' ' ' LEU . 50.4 tttm -115.71 132.24 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.609 ' CD2' HG22 ' A' ' 26' ' ' VAL . 63.1 mt -121.88 145.31 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 m -144.01 133.59 23.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.435 HG11 ' HD3' ' A' ' 112' ' ' ARG . 96.7 t -71.62 133.68 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 116' ' ' VAL . 10.6 tpp180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.84 -56.01 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.434 ' OE1' HG13 ' A' ' 17' ' ' VAL . 4.3 tp-100 -59.5 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.57 -66.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 112' ' ' ARG . 88.8 t -44.22 -47.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -69.9 -46.24 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 116' ' ' VAL . 33.2 mt -52.13 -49.71 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.5 p -70.48 -45.04 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.514 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -54.05 -47.73 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.7 tpt -58.17 -53.45 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.591 ' HB2' HD11 ' A' ' 68' ' ' ILE . 35.3 t-80 -49.47 -55.03 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.442 ' HD3' HG22 ' A' ' 120' ' ' VAL . 9.8 mptt -53.87 -44.28 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -64.87 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.31 -42.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -51.87 -55.81 17.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.37 -48.9 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 60' ' ' ILE . 12.7 mt -42.46 -59.67 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 17' ' ' VAL . 47.6 mmtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.729 0.299 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' LEU . 77.0 mt-30 -72.7 -51.9 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD22 ' OE1' ' A' ' 45' ' ' GLN . 48.2 mt -35.81 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -42.93 -43.73 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 13' ' ' LYS . 97.8 t -64.33 -46.65 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 125' ' ' ALA . 85.2 mt -52.41 -59.32 4.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.35 -46.48 55.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -37.34 -50.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.06 138.73 5.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.61 165.55 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.566 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 17.1 m -84.26 147.67 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 23' ' ' THR . 65.3 m-85 -160.05 171.84 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -110.11 114.6 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG13 HD11 ' A' ' 100' ' ' LEU . 99.3 t -99.09 117.95 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -101.27 101.48 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.43 143.98 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.75 -36.42 6.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -73.92 -53.28 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -73.47 117.92 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -81.0 -6.98 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -122.86 138.23 29.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.01 46.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -123.5 141.81 51.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -66.57 106.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.75 159.13 28.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.4 m -107.2 121.07 43.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 m -109.59 125.01 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -144.36 167.62 22.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.0 mt -103.03 144.57 31.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 174.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -45.79 -53.47 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -96.09 7.11 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.58 ' OE1' HD22 ' A' ' 15' ' ' LEU . 3.3 mt-30 62.98 43.63 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.647 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 90.3 mtt180 -99.56 -10.35 22.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 16.9 m-85 -154.81 159.01 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -116.6 140.41 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 56' ' ' TYR . 15.1 mt -124.38 141.11 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.92 131.81 54.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 158.08 -131.11 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' GLY . 69.6 m-20 -34.6 -47.79 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -158.05 175.76 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -73.0 88.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.725 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.8 m-85 -102.47 147.98 26.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -152.74 150.14 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.627 ' CD1' HD22 ' A' ' 100' ' ' LEU . 68.3 mt -127.93 100.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 61' ' ' VAL . 7.6 pt-20 -65.19 122.84 18.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.43 -36.15 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 59' ' ' GLU . 20.4 m -48.01 -29.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 63' ' ' ILE . 18.6 m80 -89.14 -49.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 62' ' ' HIS . 52.5 mt -36.38 126.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.4 t -105.37 -53.52 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.5 m -105.35 137.42 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 87' ' ' LEU . 57.3 t -138.22 105.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.95 158.33 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -105.49 137.17 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 86' ' ' PHE . 77.7 mt -82.94 129.14 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.845 0.355 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.0 p -51.23 -46.46 62.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.19 -179.06 35.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.581 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.5 ttm -119.98 155.82 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' HB2' HD21 ' A' ' 69' ' ' LEU . 46.6 t80 -133.65 119.13 18.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' VAL . 8.7 mt -129.87 151.61 50.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.86 140.7 50.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -157.4 155.55 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.499 HG22 HG22 ' A' ' 97' ' ' VAL . 47.5 p -102.39 154.36 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -115.07 129.96 24.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 81.87 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.16 32.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -150.5 177.91 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -118.82 118.8 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.2 -176.71 22.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 90' ' ' THR . 81.5 t -113.88 137.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 87.7 m -101.93 136.92 40.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.429 ' CD ' ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -112.37 168.72 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 58' ' ' ILE . 13.5 tp -134.62 134.21 40.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 69' ' ' LEU . 28.7 tttt -118.27 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 85' ' ' MET . 42.0 mt -123.87 153.66 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.5 m -142.28 146.17 34.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -87.08 119.03 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 105' ' ' VAL . 10.4 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -54.19 -46.49 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -62.68 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.438 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -46.13 -62.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.64 -44.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' ALA . . . -53.08 -42.04 65.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.51 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 32.0 t90 -78.75 -33.41 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.25 -46.83 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.5 p -79.28 -38.75 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' ALA . . . -59.52 -53.65 55.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.48 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.2 tmt? -45.64 -68.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' MET . 36.7 t-80 -37.25 -41.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -53.54 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.98 -29.28 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -66.31 -50.5 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 130' ' ' TYR . 16.1 mttp -33.14 -56.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -41.56 -45.96 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 126' ' ' ALA . 13.1 mt -39.62 -57.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.862 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.0 ttpm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.703 0.287 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 17' ' ' VAL . 20.8 mp0 -66.07 -51.09 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -36.78 -57.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 6.1 pttm -62.51 -32.9 73.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 13' ' ' LYS . 58.5 t -68.89 -33.57 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 41' ' ' LEU . 24.2 mt -70.33 -65.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -41.06 -51.14 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 t -44.12 -40.91 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 143.28 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.07 167.41 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 m -87.04 143.12 27.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -150.87 158.78 44.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 mt -100.18 107.18 18.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.563 HG11 HD11 ' A' ' 100' ' ' LEU . 25.9 t -93.03 127.65 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -116.24 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.72 148.95 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.25 -21.57 33.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.25 -34.13 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -100.38 131.39 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -85.51 -17.95 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -105.57 137.51 19.32 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -132.94 138.53 46.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -76.41 117.59 18.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.7 mtp -135.02 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 m -120.66 124.19 44.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -113.99 120.53 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.26 167.21 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 18' ' ' LEU . 10.0 mt -103.83 158.88 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 99.0 p -81.52 175.76 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -45.13 -54.29 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.83 -4.18 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 61.04 31.73 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 14.8 mtt-85 -96.24 3.03 53.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 46' ' ' ARG . 47.4 m-85 -157.69 148.72 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -104.39 146.29 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 42' ' ' SER . 10.3 m-85 -122.04 148.81 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' ' 56' ' ' TYR . 66.8 mt -126.83 153.39 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -139.97 129.49 24.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.28 -120.79 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.68 -43.35 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -149.45 173.71 13.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -70.71 105.49 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' HB3' HD12 ' A' ' 50' ' ' LEU . 22.2 m-85 -120.11 149.05 42.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.8 140.66 16.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.414 ' CD1' HD22 ' A' ' 100' ' ' LEU . 33.9 mt -121.45 100.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.768 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.7 pm0 -64.76 135.56 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 60' ' ' ILE . 82.2 mt -70.05 -16.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 59' ' ' GLU . 28.5 m -69.49 -21.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.446 ' HD2' HG23 ' A' ' 61' ' ' VAL . 5.2 m-70 -97.2 -40.15 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -47.8 132.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -111.05 -51.58 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 m -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.5 t -134.59 101.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.19 158.51 41.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 84' ' ' GLY . 80.1 mt -103.69 146.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 101' ' ' LYS . 85.0 mt -88.38 120.12 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.876 0.37 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.8 p -102.26 34.31 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 142.21 -161.34 27.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.8 tpp -155.71 146.07 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 12.0 t80 -126.28 125.01 41.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mt -128.57 154.85 45.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -132.69 136.5 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -152.23 147.73 26.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.56 HG22 HG22 ' A' ' 97' ' ' VAL . 81.4 p -103.26 144.28 31.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.41 130.07 25.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 80.63 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.96 36.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 t -143.38 173.62 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -115.39 106.7 14.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.06 -175.49 18.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 90' ' ' THR . 69.8 t -115.92 143.44 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.2 m -104.28 136.3 44.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.6 pt20 -115.39 137.95 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.563 HD11 HG11 ' A' ' 26' ' ' VAL . 3.2 tp -115.68 122.09 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.593 ' HG3' HD11 ' A' ' 69' ' ' LEU . 1.9 ttmp? -100.12 135.36 41.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 26' ' ' VAL . 76.2 mt -123.82 131.77 53.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 m -128.18 148.03 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' A' ' 115' ' ' ALA . 61.7 t -78.3 144.51 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 116' ' ' VAL . 8.1 tpp180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -52.67 -39.36 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -66.91 -60.94 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 104' ' ' VAL . . . -54.38 -57.79 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.879 ' HA ' HD12 ' A' ' 119' ' ' LEU . 99.4 t -47.98 -43.11 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.36 94.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TRP . . . . . 0.43 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 64.4 t90 -65.76 -46.87 77.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 116' ' ' VAL . 17.9 mt -48.16 -62.81 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 121' ' ' ALA . 6.8 p -61.54 -39.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -56.16 -41.01 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.0 tpt -61.56 -55.99 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 15.2 t-80 -58.55 -54.99 40.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -43.25 -58.5 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.05 99.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -43.7 -35.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.46 -49.78 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -52.52 -47.48 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 129' ' ' LEU . 13.0 mt -46.66 -59.58 2.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -104.53 130.64 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -66.3 -54.64 22.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.73 166.41 10.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -112.32 -48.28 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 m -147.98 137.88 22.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.12 -179.72 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . -120.37 104.96 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.291 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' ALA . 15.0 mp0 -34.83 -43.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.48 -52.17 66.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -73.14 -18.26 61.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.96 -35.06 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -57.81 -22.95 50.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' VAL . 29.8 mm-40 -89.43 -36.7 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -40.29 -40.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 25.3 pttt -70.79 -38.55 73.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 49.4 t -68.87 -37.72 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.954 ' HB3' HD12 ' A' ' 41' ' ' LEU . 31.3 mt -67.37 -54.29 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' SER . 58.3 mt -54.42 -50.89 66.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t -34.51 -46.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.86 122.18 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -114.12 153.1 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.15 139.43 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 70.9 m-85 -149.86 -179.49 7.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.752 HD22 ' HB2' ' A' ' 34' ' ' PRO . 33.9 mt -108.62 110.49 21.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 37' ' ' MET . 98.8 t -96.97 132.46 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.5 m -124.84 117.95 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -86.08 146.05 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.9 -39.36 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -76.5 -43.13 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.822 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -79.63 124.13 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -89.55 -18.05 27.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -101.16 138.6 20.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.752 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 139.6 40.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -120.2 137.01 54.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.5 m -68.11 112.28 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.441 ' HB2' HG23 ' A' ' 26' ' ' VAL . 14.2 mtp -128.41 171.8 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -117.31 130.01 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.0 m -116.73 125.79 52.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -146.39 167.96 22.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.954 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.4 mt -103.07 164.14 11.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 t -81.42 177.27 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -51.35 -44.13 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' GLN . 12.0 m-80 -103.37 29.11 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 34.42 39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -108.31 -1.9 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -153.07 146.99 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -102.32 139.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.702 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.9 m-30 -120.05 155.24 33.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.702 HD23 ' O ' ' A' ' 49' ' ' PHE . 24.2 mt -135.82 143.26 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.0 136.41 44.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.44 -132.7 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.32 -25.87 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -155.94 172.46 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -85.79 112.04 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.497 ' HB3' HD12 ' A' ' 50' ' ' LEU . 6.7 m-85 -124.74 147.69 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 26.7 mt-10 -149.17 126.14 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' CD1' HD22 ' A' ' 100' ' ' LEU . 56.9 mt -108.85 101.35 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.624 ' HB3' HG22 ' A' ' 61' ' ' VAL . 42.6 mt-10 -64.34 125.83 25.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.9 mt -65.23 -20.82 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 59' ' ' GLU . 14.7 m -69.52 -26.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -89.36 -36.57 15.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 60' ' ' ILE . 71.7 mt -49.73 132.52 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 t -101.58 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.3 m -107.82 149.83 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.635 HG13 HD23 ' A' ' 87' ' ' LEU . 43.1 t -150.86 105.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.07 159.06 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 84' ' ' GLY . 37.3 mt -101.83 134.63 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.37 113.04 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p -101.41 135.4 42.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -56.93 -48.05 79.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.74 -126.83 1.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -66.72 143.45 98.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.741 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.33 27.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -43.71 2.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.56 -149.5 8.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.55 -153.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.14 120.2 5.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.19 178.76 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.03 46.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -46.38 118.7 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.37 118.24 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.607 HG22 HH12 ' A' ' 112' ' ' ARG . 29.5 p -106.79 -26.51 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -133.58 -177.13 14.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.777 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -150.17 150.38 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.783 0.325 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -135.06 122.26 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.635 HD23 HG13 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -131.7 139.55 49.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 63' ' ' ILE . 47.1 mt-30 -117.4 140.41 49.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -163.33 156.59 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 97' ' ' VAL . 67.5 p -117.41 145.74 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.7 t -110.85 138.88 21.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.77 114.76 3.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.74 -45.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -80.93 -179.62 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.94 118.9 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.3 -158.72 14.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 90' ' ' THR . 87.6 t -125.63 145.44 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.1 m -114.25 129.38 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -112.17 148.56 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 58' ' ' ILE . 4.2 tp -125.59 132.15 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -111.82 140.57 46.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 mt -130.37 120.05 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 m -119.54 162.16 19.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.55 122.5 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.45 149.46 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.22 37.0 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.97 177.8 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG13 HG23 ' A' ' 109' ' ' THR . 9.0 p -73.02 -40.08 58.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.419 HG23 HG13 ' A' ' 108' ' ' VAL . 39.5 p -116.31 88.41 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 111' ' ' GLY . 5.9 p -112.91 -45.07 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 110' ' ' VAL . . . 92.79 50.15 2.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.607 HH12 HG22 ' A' ' 83' ' ' THR . 15.6 mmt180 -37.97 -39.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -59.02 -54.61 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -67.54 -48.24 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.57 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.81 -31.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.76 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.549 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 21.4 t90 -67.11 -51.84 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 85' ' ' MET . 93.2 mt -46.44 -63.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.8 p -52.79 -47.22 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.554 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -52.7 -48.93 66.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -53.18 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -48.08 -51.73 23.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -44.1 -53.47 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.19 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.574 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -54.34 -19.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.46 -50.44 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.8 -29.34 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 129' ' ' LEU . 11.5 mt -59.13 -34.26 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -103.38 -57.61 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.18 -22.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.406 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 15.7 t -147.6 176.39 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' NH2' ' HA ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -96.68 155.91 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.9 -56.98 4.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -104.67 127.87 52.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.2 p -89.72 104.85 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.459 ' N ' ' HD2' ' A' ' 138' ' ' PRO . . . 163.81 -60.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 137' ' ' GLY . 53.4 Cg_endo -69.79 -6.69 19.2 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.2 p -57.65 152.9 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 94.5 p -87.22 37.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -49.66 127.5 15.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -163.73 117.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.88 82.6 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -110.35 167.05 10.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -73.09 -59.02 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.78 -158.35 25.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.15 94.81 8.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.31 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.04 -34.49 77.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -58.55 -34.04 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -81.43 -30.94 33.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.48 -15.49 57.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -88.64 -25.8 22.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -74.44 -19.62 60.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.56 -68.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -38.67 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.39 -49.74 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 85.9 mt -57.48 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -46.04 -52.19 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -39.6 -35.05 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.5 131.42 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -113.52 179.55 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 8.5 m -105.59 140.9 37.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 44.0 m-85 -150.54 163.84 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.731 HD22 ' HB2' ' A' ' 34' ' ' PRO . 32.9 mt -94.7 115.28 27.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 100' ' ' LEU . 62.1 t -101.25 126.82 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 m -118.39 108.11 14.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' SER . 80.2 m-85 -83.33 135.25 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.94 -37.62 0.1 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -71.41 -44.98 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' PHE . 9.6 m -87.47 121.84 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -84.69 -7.87 59.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -111.11 138.18 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.731 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.2 Cg_endo -69.81 144.48 53.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.258 . . . . 0.0 112.295 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -122.69 146.86 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -79.9 108.67 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mtp -130.07 162.44 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -107.91 145.68 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.2 t -131.76 138.34 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -155.63 166.35 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 48' ' ' LEU . 5.2 mt -104.81 161.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -74.37 173.97 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -54.73 -35.56 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -105.99 12.14 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 47.89 52.56 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 9.3 mmt85 -118.48 -2.48 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' O ' ' A' ' 46' ' ' ARG . 76.7 m-85 -156.2 147.54 22.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.581 HD11 ' CE ' ' A' ' 122' ' ' MET . 59.2 mt -110.03 143.67 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.15 151.05 51.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.93 158.05 25.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.91 139.84 45.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 147.97 -139.07 7.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' GLY . 2.2 m-20 -35.51 -37.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -153.27 172.08 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -97.46 90.74 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -98.85 159.83 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -144.36 123.19 12.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.23 100.53 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.659 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.3 pm0 -72.24 125.14 26.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.92 -31.1 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 59' ' ' GLU . 4.2 m -55.42 -27.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.59 ' HD2' HG23 ' A' ' 61' ' ' VAL . 7.6 m-70 -90.8 -46.59 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mt -38.72 136.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -112.99 -56.64 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.4 m -106.17 140.76 38.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 87' ' ' LEU . 25.7 t -142.37 105.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -135.65 145.51 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 123' ' ' HIS . 56.1 mt -86.28 141.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 105.21 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.5 p -103.24 159.04 15.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -101.81 101.66 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.1 112.58 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -39.72 129.31 1.48 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 148.24 64.27 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.24 114.02 1.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.49 -159.43 28.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.53 -72.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -37.9 157.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -170.97 142.25 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.698 ' H ' ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -127.08 -174.93 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -163.52 128.27 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.3 p -109.84 17.56 21.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.74 179.26 42.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.455 ' SD ' HD11 ' A' ' 87' ' ' LEU . 16.8 ttm -145.33 148.29 33.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' O ' HD23 ' A' ' 87' ' ' LEU . 3.7 t80 -126.87 130.32 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD22 HG22 ' A' ' 66' ' ' VAL . 10.8 mt -143.28 139.56 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -118.86 143.83 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -153.23 162.76 40.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -113.3 131.38 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG13 ' HD2' ' A' ' 92' ' ' PRO . 31.1 t -85.96 137.06 35.67 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.535 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.77 84.89 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.22 11.82 2.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 3.0 t -118.94 167.92 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -110.15 113.75 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.81 -164.52 12.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.47 141.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.9 m -101.46 132.01 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 10.9 pt20 -108.62 139.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.484 HD11 HG13 ' A' ' 26' ' ' VAL . 7.9 tp -118.73 143.16 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.26 131.97 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 26' ' ' VAL . 43.8 mt -124.67 141.44 52.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 104' ' ' VAL . 55.2 m -137.29 158.54 44.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.499 ' N ' HG22 ' A' ' 103' ' ' THR . 58.2 t -89.55 136.4 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 m -114.84 134.55 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -120.14 -28.99 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.84 -69.14 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.581 HG22 HG23 ' A' ' 109' ' ' THR . 4.3 p -58.51 -52.01 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 108' ' ' VAL . 35.0 p -134.96 135.85 41.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 110' ' ' VAL . 4.2 m -89.12 154.42 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 145.65 40.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.613 ' HD2' HG23 ' A' ' 116' ' ' VAL . 8.4 tpt180 -50.43 -63.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -56.94 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -45.49 -59.9 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.445 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -57.03 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.613 HG23 ' HD2' ' A' ' 112' ' ' ARG . 75.2 t -44.6 -33.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -43.71 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 52.3 t90 -62.65 -39.96 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.25 -51.96 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.65 -33.21 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.03 -30.04 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.581 ' CE ' HD11 ' A' ' 48' ' ' LEU . 6.6 tpt -76.66 -46.62 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' ILE . 1.5 t-80 -64.26 -49.53 71.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.01 -36.23 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.05 -27.5 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.67 -46.15 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.09 -34.04 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -35.8 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.07 -47.05 78.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -81.62 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -50.75 -24.9 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 t -138.11 133.05 32.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -124.35 168.97 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -102.03 79.88 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -81.2 88.85 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.7 m 54.66 44.05 29.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.7 68.15 1.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 160.79 48.41 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 25.4 m -132.18 146.33 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 89.7 p -166.4 138.18 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -163.73 175.87 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -42.46 -55.24 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.28 43.57 6.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -51.63 137.44 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 p -70.86 125.57 27.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.32 84.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.39 89.51 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -78.39 -50.27 12.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -48.28 -55.64 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.766 ' CE2' HD21 ' A' ' 15' ' ' LEU . 58.8 t80 -62.44 -51.97 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.26 -43.42 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -64.64 -50.25 67.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.5 -31.51 35.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD21 ' CE2' ' A' ' 11' ' ' TYR . 76.7 mt -54.06 -58.92 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 8.4 pttm -64.32 -39.05 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 93.2 t -59.65 -41.29 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.2 mt -67.31 -58.98 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' SER . 26.2 mt -54.43 -47.61 72.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t -34.51 -48.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.37 124.16 2.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -120.61 157.16 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -87.89 146.62 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 71.7 m-85 -155.96 157.73 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.3 mt -84.51 116.51 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.5 t -102.24 122.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 m -102.91 120.17 40.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -97.36 129.93 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.68 -35.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.94 -46.47 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -92.4 133.88 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -76.75 -28.42 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -106.15 134.45 19.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 168.48 21.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -132.43 149.6 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -67.0 106.35 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mtp -131.43 147.23 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.3 m -97.32 132.46 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.16 126.98 54.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -141.09 167.17 22.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 60' ' ' ILE . 7.0 mt -103.0 167.76 9.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -85.19 175.86 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -46.33 -55.87 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -94.46 18.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 47.94 48.56 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -113.26 -8.09 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.78 147.12 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.1 mt -104.51 138.2 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -121.21 141.38 50.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 mt -123.3 138.45 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.43 144.17 46.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.58 -138.45 8.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.6 -37.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.803 0.335 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.75 158.82 37.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -85.68 96.02 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -99.03 159.13 15.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -147.59 113.51 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.441 HD13 HD22 ' A' ' 100' ' ' LEU . 24.5 mt -99.98 99.96 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.603 ' HB3' HG22 ' A' ' 61' ' ' VAL . 36.2 mp0 -63.58 110.37 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.8 mt -49.53 -34.76 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.603 HG22 ' HB3' ' A' ' 59' ' ' GLU . 29.3 m -56.68 -29.81 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -82.81 -39.18 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 88' ' ' GLN . 63.8 mt -49.35 132.67 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -102.82 -59.67 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.1 m -103.97 138.51 40.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG13 HD23 ' A' ' 87' ' ' LEU . 83.9 t -134.98 101.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -129.26 160.43 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 84' ' ' GLY . 93.1 mt -110.37 137.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 17.9 mt -91.8 139.05 31.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p -131.43 139.39 49.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -83.99 135.48 34.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.76 -65.32 0.25 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.439 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 5.9 t80 72.25 54.2 0.34 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.79 166.46 27.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.22 4.62 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.54 49.69 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.79 139.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 74' ' ' PRO . . . -131.84 64.8 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.509 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.0 t30 59.7 42.23 17.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.21 128.02 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' N ' ' HD3' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -89.33 -60.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.555 ' O ' HD12 ' A' ' 119' ' ' LEU . . . -165.43 117.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 t -98.95 -28.28 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -136.18 -158.21 8.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.2 ttm -166.47 150.56 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -135.79 104.99 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.6 HD12 HD23 ' A' ' 100' ' ' LEU . 7.6 mt -108.73 150.46 27.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 63' ' ' ILE . 34.6 mt-30 -127.77 132.23 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -152.24 159.94 43.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.498 HG22 HG22 ' A' ' 97' ' ' VAL . 40.9 p -104.82 148.8 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.692 HG13 ' HD2' ' A' ' 92' ' ' PRO . 97.8 t -108.4 139.14 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.692 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.74 116.82 4.73 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.92 -47.56 1.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.8 m -68.2 136.62 53.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -87.22 120.94 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 173.0 17.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 90' ' ' THR . 85.8 t -109.08 138.9 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.3 m -104.42 140.98 37.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -112.85 158.86 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 87' ' ' LEU . 16.2 tp -128.27 114.29 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 38.1 tttt -104.64 114.84 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.69 136.89 44.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.8 m -144.03 126.45 15.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.556 HG11 ' HD3' ' A' ' 112' ' ' ARG . 92.7 t -70.74 132.84 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.85 139.07 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 107' ' ' ASP . 17.7 mt-10 -76.46 -38.63 55.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 106' ' ' GLU . 42.1 t0 -33.58 -63.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.5 t -48.94 146.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 47.9 p -43.38 161.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.7 t -52.82 107.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -153.73 39.42 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.556 ' HD3' HG11 ' A' ' 104' ' ' VAL . 5.1 mmt85 -72.55 -49.93 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -45.58 -46.36 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.501 ' CD ' ' C ' ' A' ' 114' ' ' GLN . 1.5 tm0? -61.91 -71.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -43.42 -59.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 112' ' ' ARG . 64.8 t -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 114' ' ' GLN . . . -62.36 -37.86 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.451 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 56.5 t90 -68.46 -53.33 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 82' ' ' ALA . 71.4 mt -44.48 -58.69 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 116' ' ' VAL . 5.0 p -60.25 -42.78 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -54.89 -59.63 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.442 ' N ' HD21 ' A' ' 18' ' ' LEU . 9.5 tpt -40.67 -54.71 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -60.19 -57.09 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -39.43 -58.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.05 80.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -47.86 -27.53 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 131' ' ' GLU . 17.6 mtpt -66.23 -58.49 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.0 mt -42.25 -46.02 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 126' ' ' ALA . 3.4 mt -39.91 -59.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -104.08 -59.83 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 127' ' ' LYS . 6.2 mm-40 -42.79 155.4 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -127.78 159.81 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -107.12 142.12 37.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -110.44 -56.53 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 136' ' ' SER . 85.4 mm-40 -119.08 -47.94 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 135' ' ' GLN . 20.7 m -37.11 131.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.82 -95.45 2.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 168.31 21.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 55.4 p -80.38 -42.99 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 44.5 t -138.51 139.81 38.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -62.18 -61.46 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -56.32 148.72 18.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.22 -99.58 0.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -49.9 -46.13 51.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -84.11 147.78 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.34 132.92 5.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 74.74 46.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.716 0.293 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -50.98 -28.14 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -70.09 -28.7 65.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -93.08 -29.21 15.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.09 -34.65 63.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -49.17 -38.22 25.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.36 -37.99 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.13 -51.9 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -54.55 -37.4 65.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.77 -43.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD23 ' CD1' ' A' ' 118' ' ' TRP . 16.4 mt -62.99 -58.8 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -39.53 -59.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -40.32 -45.79 2.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.56 146.46 12.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.46 178.5 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -102.75 147.47 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 26.9 m-85 -156.09 171.0 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 34' ' ' PRO . 32.1 mt -107.47 118.5 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -102.34 136.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.0 m -123.76 111.78 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.77 143.94 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.48 -40.44 2.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -74.78 -40.8 60.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m -84.0 120.11 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -86.35 -13.73 45.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -109.83 136.1 20.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.54 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.9 Cg_endo -69.8 145.36 56.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -123.02 146.11 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.3 m -73.04 111.96 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mtp -134.19 147.83 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.6 m -93.06 140.69 29.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -125.71 124.24 40.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -144.77 166.79 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 18' ' ' LEU . 5.6 mt -103.25 167.85 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 p -80.6 178.01 8.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -52.54 -42.36 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -102.16 3.3 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.554 ' O ' HD11 ' A' ' 129' ' ' LEU . 33.9 mt-30 64.93 30.55 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -99.14 -2.42 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -146.01 161.88 39.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.4 mt -123.2 131.84 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -115.24 150.82 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 56' ' ' TYR . 8.2 mt -132.2 150.72 52.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -133.6 137.45 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.98 -131.34 2.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -38.53 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -151.67 178.75 9.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' CG ' ' O ' ' A' ' 55' ' ' HIS . 15.7 p80 -83.27 115.61 22.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.569 ' HB3' HD12 ' A' ' 50' ' ' LEU . 11.1 m-85 -122.62 145.09 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -147.63 112.74 5.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.541 HD12 HD11 ' A' ' 50' ' ' LEU . 55.4 mt -107.98 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 61' ' ' VAL . 43.6 mt-10 -64.7 153.91 38.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 60' ' ' ILE . 47.3 mt -82.84 -15.2 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 59' ' ' GLU . 15.6 m -65.88 -47.22 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 61' ' ' VAL . 50.7 m-70 -64.65 -56.45 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 88' ' ' GLN . 2.2 mt -32.11 147.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.5 t -124.01 -38.61 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -126.18 142.24 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 87' ' ' LEU . 95.1 t -141.08 111.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.608 HD11 ' CB ' ' A' ' 123' ' ' HIS . 31.7 mt -95.72 139.3 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 86' ' ' PHE . 92.4 mt -89.78 120.87 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 82' ' ' ALA . 23.8 p -123.97 168.49 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -153.09 127.04 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 74' ' ' PRO . . . 71.9 83.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -105.89 89.47 3.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.743 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 72' ' ' GLY . 53.4 Cg_endo -69.79 160.19 50.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.303 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -18.42 36.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -109.03 -143.24 10.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.15 169.43 27.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.51 111.33 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -72.25 -57.02 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.8 87.48 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -92.25 -66.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.594 ' HA ' HG22 ' A' ' 70' ' ' THR . . . -79.1 122.54 26.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 p -122.37 30.92 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 153.92 -168.75 32.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.7 ' HB3' HD12 ' A' ' 102' ' ' LEU . 1.8 tpt -153.39 146.35 24.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.576 ' HB2' HD21 ' A' ' 69' ' ' LEU . 7.9 t80 -129.16 111.33 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' HG13 ' A' ' 66' ' ' VAL . 16.4 mt -118.71 141.72 48.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 63' ' ' ILE . 22.0 mt-30 -121.35 132.91 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.455 ' CE2' HD13 ' A' ' 58' ' ' ILE . 13.2 p90 -152.76 147.58 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.7 p -101.6 148.88 24.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 92' ' ' PRO . 89.7 t -110.31 136.76 20.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 121.48 8.18 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.371 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.22 -47.1 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -83.49 167.16 17.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 111.148 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -114.59 111.0 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.31 -172.06 22.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.35 137.22 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.7 m -104.37 147.36 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.53 145.44 50.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD13 ' OH ' ' A' ' 89' ' ' TYR . 5.9 tp -123.13 122.37 38.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -103.17 141.91 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 85' ' ' MET . 62.9 mt -127.35 141.22 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.6 m -142.56 144.06 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.743 HG11 ' HD3' ' A' ' 112' ' ' ARG . 74.5 t -67.76 131.18 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.471 HG11 HG23 ' A' ' 108' ' ' VAL . 68.9 t -62.26 141.22 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -106.24 -27.81 10.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.54 -47.44 84.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.471 HG23 HG11 ' A' ' 105' ' ' VAL . 91.9 t -56.38 138.84 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.5 m -41.7 -70.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.4 t -143.18 136.26 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 178.7 47.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.743 ' HD3' HG11 ' A' ' 104' ' ' VAL . 12.0 tpp85 -90.8 -64.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -36.99 -58.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.479 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -47.86 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.65 -53.88 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.604 ' HA ' HD12 ' A' ' 119' ' ' LEU . 82.6 t -51.97 -44.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.16 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.618 ' CD1' HD23 ' A' ' 18' ' ' LEU . 26.2 t90 -59.45 -33.9 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 116' ' ' VAL . 89.0 mt -63.26 -58.7 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.87 -46.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.87 -49.26 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.485 ' HB2' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -51.3 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.608 ' CB ' HD11 ' A' ' 68' ' ' ILE . 56.1 t-80 -48.35 -53.65 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.38 -60.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.21 83.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -49.52 -31.52 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.94 -38.46 88.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.47 -36.57 81.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 45' ' ' GLN . 12.4 mt -54.41 -49.24 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -83.8 -52.41 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -75.74 -179.15 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.4 t -85.06 -175.95 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.24 160.09 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.04 100.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.44 -45.58 79.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.2 m -122.91 114.51 20.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.66 140.83 33.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.5 37.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.4 m -87.68 163.2 16.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.3 m -113.88 141.87 46.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -95.19 80.37 3.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -121.85 -61.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.97 104.93 0.26 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -83.32 97.5 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -120.76 145.12 47.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.67 111.72 3.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.66 36.6 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -61.05 -26.57 67.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -77.76 -54.77 5.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.58 -11.53 35.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' HA ' HD23 ' A' ' 15' ' ' LEU . 73.0 m-20 -83.87 -15.54 47.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -80.3 -33.67 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' CD ' ' N ' ' A' ' 14' ' ' GLN . 1.7 mp0 -78.41 -39.61 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -67.0 -42.14 85.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' HD12 ' A' ' 15' ' ' LEU . 13.7 pttp -66.56 -34.84 78.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 t -76.92 -40.4 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.606 ' HB3' HD12 ' A' ' 41' ' ' LEU . 16.3 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' SER . 83.5 mt -62.21 -55.51 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' LEU . 3.3 t -37.13 -43.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.63 131.69 5.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -121.82 150.64 41.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 23.5 m -78.98 146.11 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.7 m-85 -158.88 155.54 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.787 HD22 ' HB2' ' A' ' 34' ' ' PRO . 33.7 mt -91.05 122.38 33.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.61 131.66 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 m -122.4 105.44 10.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 56' ' ' TYR . 96.9 m-85 -77.53 163.44 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.33 -29.61 63.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -84.68 -37.04 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 122.35 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.05 -29.18 23.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -93.62 138.47 22.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.787 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 140.48 42.81 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -120.42 139.75 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -69.47 107.19 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.31 165.36 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 m -112.01 136.1 51.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.6 t -121.84 123.24 41.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -140.89 164.99 28.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 18' ' ' LEU . 6.3 mt -103.67 166.11 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -76.64 177.93 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -45.9 -57.51 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -97.27 16.45 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 55.27 45.48 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -93.37 -13.91 27.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.547 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.5 m-85 -153.37 170.05 21.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -117.89 147.14 43.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.4 161.31 28.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 56' ' ' TYR . 16.6 mt -142.31 142.28 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -121.67 133.19 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.19 -137.11 4.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.3 -41.77 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -151.64 166.03 32.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -68.78 95.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.554 ' HB3' HD12 ' A' ' 50' ' ' LEU . 7.4 m-85 -99.38 145.99 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 37.2 mt-10 -147.09 129.66 15.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.518 ' CD1' HD11 ' A' ' 50' ' ' LEU . 58.0 mt -116.22 101.53 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 61' ' ' VAL . 2.2 mp0 -66.76 122.03 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.666 HG21 HD13 ' A' ' 129' ' ' LEU . 70.8 mt -59.08 -37.13 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 59' ' ' GLU . 27.5 m -56.56 -22.58 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -92.61 -39.19 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 88' ' ' GLN . 69.6 mt -44.07 124.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -98.47 -51.71 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.3 m -104.5 148.45 26.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.559 HG13 ' CD2' ' A' ' 87' ' ' LEU . 76.8 t -150.78 105.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -138.46 159.51 41.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.453 HD11 ' HB2' ' A' ' 123' ' ' HIS . 63.5 mt -100.96 145.93 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 86' ' ' PHE . 79.8 mt -104.09 134.13 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.3 p -125.68 114.56 18.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.25 162.21 13.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.48 -98.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -70.21 146.26 94.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.9 17.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.53 37.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.05 -169.88 32.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -42.92 149.27 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 143.08 147.65 4.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -41.08 -37.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.849 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.69 139.67 40.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -120.1 -59.09 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.01 118.06 24.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 83' ' ' THR . 72.2 m -121.74 40.0 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 164.45 173.22 32.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 102' ' ' LEU . 5.3 ttt -153.9 132.24 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 69' ' ' LEU . 8.8 t80 -118.89 116.76 27.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.559 ' CD2' HG13 ' A' ' 66' ' ' VAL . 11.3 mt -128.02 167.61 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 63' ' ' ILE . 57.6 mt-30 -144.14 146.27 32.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -149.64 152.59 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.642 HG22 HG22 ' A' ' 97' ' ' VAL . 42.4 p -103.17 130.5 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 93' ' ' GLY . 15.2 t -112.0 126.17 28.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.743 2.295 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.615 ' H ' HG12 ' A' ' 91' ' ' VAL . . . -109.96 7.55 31.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.5 t -138.19 178.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.3 109.04 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.77 -151.88 17.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.438 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 90' ' ' THR . 58.7 t -122.98 148.85 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.1 m -118.7 142.51 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.416 ' CD ' ' H ' ' A' ' 99' ' ' GLN . 2.0 pm0 -108.38 169.03 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 tp -139.63 130.15 25.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -112.26 119.28 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 85' ' ' MET . 32.7 mt -114.07 136.31 53.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.4 m -143.93 144.12 31.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.46 125.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.544 HG13 ' OD2' ' A' ' 107' ' ' ASP . 60.0 t -47.65 134.9 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -115.84 -35.87 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.544 ' OD2' HG13 ' A' ' 105' ' ' VAL . 0.9 OUTLIER -40.76 -48.6 3.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.518 HG12 ' OD1' ' A' ' 107' ' ' ASP . 13.9 p -130.52 143.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.5 m -57.26 133.53 55.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 112' ' ' ARG . 27.3 m -138.45 177.61 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -61.83 76.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -49.65 -53.96 21.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 114' ' ' GLN . 7.8 ptt-85 -51.93 -48.04 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 17.6 tp60 -59.22 -64.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.14 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.788 ' HA ' HD12 ' A' ' 119' ' ' LEU . 88.9 t -40.3 -41.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.07 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.51 ' O ' ' CE3' ' A' ' 118' ' ' TRP . 10.6 t90 -54.51 -32.89 58.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 116' ' ' VAL . 22.0 mt -66.09 -60.61 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.95 70.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.2 tpt -58.47 -47.72 83.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.453 ' HB2' HD11 ' A' ' 68' ' ' ILE . 25.6 t-80 -58.28 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -39.03 -63.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -59.81 -50.86 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.909 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -36.99 -46.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 131' ' ' GLU . 3.2 mmmp? -53.31 -44.84 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ALA . 34.3 mt -55.21 -49.42 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' A' ' 126' ' ' ALA . 10.3 mt -40.0 -61.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 1.5 p90 -96.6 -63.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' LYS . 9.3 mt-10 -67.73 159.45 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 22.6 t 46.85 50.51 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.9 161.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.12 120.4 40.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -71.92 -44.4 63.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 90.0 p -142.53 149.99 39.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.15 -117.13 0.89 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 139' ' ' SER . 54.0 Cg_endo -69.68 -0.47 6.89 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 138' ' ' PRO . 4.9 t -35.38 123.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 t 48.92 48.08 20.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -114.97 -51.05 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -100.85 95.46 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.38 -178.2 15.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -127.02 42.41 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -128.67 144.13 51.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.78 91.42 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . -100.36 76.69 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 8' ' ' ALA . 1.5 pp20? -33.93 -53.38 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.499 ' O ' ' NE2' ' A' ' 14' ' ' GLN . 7.9 t80 -41.43 -55.58 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' CE2' HD21 ' A' ' 15' ' ' LEU . 29.6 t80 -72.61 -44.73 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' LEU . 16.0 m-20 -48.89 -63.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -39.81 -43.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 10' ' ' PHE . 33.4 mt-30 -63.1 -36.98 85.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD21 ' CE2' ' A' ' 11' ' ' TYR . 72.8 mt -51.63 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -41.96 -43.38 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.42 -53.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.623 ' HB3' HD12 ' A' ' 41' ' ' LEU . 34.6 mt -58.11 -57.65 11.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -50.91 -52.41 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -43.77 -43.54 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.39 137.69 5.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -129.04 138.41 51.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 m -70.32 138.61 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 99.5 m-85 -145.89 153.11 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 105' ' ' VAL . 17.8 mt -87.32 103.79 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.691 HG13 ' HG ' ' A' ' 100' ' ' LEU . 46.9 t -93.82 134.27 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 31' ' ' SER . 2.5 m -111.42 95.85 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -53.05 -178.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 122.39 6.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.36 36.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 27' ' ' THR . 13.2 t -121.87 90.97 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -58.46 -14.97 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -110.91 131.22 22.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.539 0.685 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.77 155.86 64.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -122.21 144.89 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -87.63 112.25 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.9 mtp -141.66 148.67 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 m -94.61 121.3 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.28 109.34 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -127.14 166.33 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.4 mt -103.57 152.5 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -69.55 175.34 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -50.48 -42.45 54.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -103.19 20.3 17.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 40.57 44.62 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -104.51 -18.26 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -144.28 152.58 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.25 155.3 20.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.67 148.43 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.601 HD11 HD11 ' A' ' 58' ' ' ILE . 62.7 mt -116.52 150.62 37.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -142.39 116.51 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.22 -124.34 1.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -44.55 -47.32 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -147.45 150.17 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -62.21 100.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.597 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.9 m-85 -116.83 163.51 16.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -156.55 132.48 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.601 HD11 HD11 ' A' ' 50' ' ' LEU . 18.3 mt -113.29 100.03 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.717 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.8 pm0 -73.03 127.2 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.0 -20.95 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 59' ' ' GLU . 34.1 m -59.05 -31.01 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.2 m-70 -89.25 -51.97 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 62' ' ' HIS . 16.0 mt -33.83 140.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 t -118.24 -60.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -104.37 136.08 44.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.659 HG13 HD23 ' A' ' 87' ' ' LEU . 91.1 t -141.0 106.2 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.57 157.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 70' ' ' THR . 82.7 mt -94.48 135.89 27.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD11 ' HD2' ' A' ' 101' ' ' LYS . 60.4 mt -78.81 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.545 HG23 HG22 ' A' ' 68' ' ' ILE . 71.5 p -129.55 117.39 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -46.31 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.87 72.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 20.0 t80 38.95 53.93 4.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 73' ' ' PHE . 53.9 Cg_endo -69.74 158.85 55.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.383 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 143.81 52.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.6 166.12 26.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.72 -68.63 1.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.34 -169.78 6.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.42 83.21 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.19 85.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -56.98 -56.18 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.8 111.34 11.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.1 t -104.72 24.2 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 166.01 169.61 29.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.744 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -144.69 155.7 43.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 8.5 t80 -132.92 133.38 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 66' ' ' VAL . 3.9 mt -140.11 120.16 13.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -105.35 141.07 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -152.44 142.02 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.795 HG22 HG22 ' A' ' 97' ' ' VAL . 62.1 p -94.19 136.2 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.514 HG13 ' HD2' ' A' ' 92' ' ' PRO . 79.3 t -107.18 135.25 19.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.7 Cg_endo -69.77 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.8 37.5 2.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 95' ' ' GLU . 93.3 m -155.77 157.01 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 111.086 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 94' ' ' THR . 5.6 pt-20 -102.16 110.38 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.44 -176.73 19.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.795 HG22 HG22 ' A' ' 90' ' ' THR . 72.0 t -104.94 143.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.1 m -107.35 142.12 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 10.0 mt-30 -112.9 157.22 21.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.691 ' HG ' HG13 ' A' ' 26' ' ' VAL . 1.5 tp -136.43 117.32 14.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.636 ' HD2' HD11 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.29 142.96 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.533 ' CD2' HG22 ' A' ' 26' ' ' VAL . 58.7 mt -130.85 139.57 50.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.9 m -142.92 140.76 31.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.439 HG11 ' CG ' ' A' ' 112' ' ' ARG . 89.0 t -69.47 133.03 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 27.1 m -106.93 173.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -130.95 -35.38 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -43.05 -42.97 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 109' ' ' THR . 14.4 p -106.04 -46.42 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 111' ' ' GLY . 40.9 m -76.75 145.1 38.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.53 15.0 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.71 ' H ' HG22 ' A' ' 109' ' ' THR . . . -155.0 96.86 0.16 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.439 ' CG ' HG11 ' A' ' 104' ' ' VAL . 2.9 ttm-85 -54.09 -46.19 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 112' ' ' ARG . 24.2 mtp180 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -44.85 -62.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 118' ' ' TRP . . . -57.56 -61.95 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.434 ' HA ' HD12 ' A' ' 119' ' ' LEU . 58.1 t -39.36 -43.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.45 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 39.8 t90 -63.69 -44.98 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 85' ' ' MET . 13.2 mt -61.0 -52.65 64.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 121' ' ' ALA . 8.1 p -62.06 -41.21 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.481 ' HB3' HD21 ' A' ' 18' ' ' LEU . . . -64.59 -40.46 95.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.529 ' O ' ' HB2' ' A' ' 126' ' ' ALA . 10.6 tpt -58.01 -46.09 85.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -61.64 -62.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -51.04 -55.0 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.05 -30.41 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 122' ' ' MET . . . -71.78 -34.93 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' GLU . 5.8 mtmp? -56.9 -59.98 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.5 mt -41.61 -47.97 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.86 -61.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -63.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 127' ' ' LYS . 29.7 mt-10 -39.75 146.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.5 m -166.67 172.21 10.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.65 172.21 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -135.36 157.35 47.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -51.28 -61.33 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.5 m -87.75 169.88 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.87 83.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 140.42 42.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.7 p -58.72 106.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 t 39.0 42.23 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.443 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 p -130.58 -51.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -107.3 104.42 14.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.31 116.98 0.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -80.74 138.38 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 110.893 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -123.82 82.78 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.49 -125.68 0.87 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.6 45.21 8.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -44.24 -39.06 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -44.48 -58.53 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.754 ' CZ ' HD21 ' A' ' 15' ' ' LEU . 23.9 t80 -62.03 -39.26 91.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -54.57 -39.24 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.2 mmmm -55.29 -51.04 67.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.3 mp0 -58.58 -34.1 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD21 ' CZ ' ' A' ' 11' ' ' TYR . 74.6 mt -68.21 -62.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -53.34 -33.28 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 13' ' ' LYS . 62.2 t -75.99 -45.91 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 41' ' ' LEU . 13.6 mt -61.42 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 mt -41.5 -47.76 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -43.46 -50.63 6.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.06 137.9 8.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.51 -176.43 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -110.5 143.06 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 9.8 m-85 -147.95 178.63 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD11 HG22 ' A' ' 105' ' ' VAL . 62.9 mt -112.2 108.97 18.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.18 132.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -118.1 129.63 55.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.63 146.6 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.75 -35.15 3.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -82.55 -37.73 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -87.82 100.46 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -13.36 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -109.74 138.18 20.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.51 68.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' A' ' 53' ' ' ASP . 42.7 tt0 -129.88 143.24 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 m -67.57 108.22 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mtt -121.3 172.5 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.7 m -120.57 136.42 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . 57.6 m -125.83 130.5 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.4 ptt85 -155.29 167.86 28.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 18' ' ' LEU . 7.7 mt -102.95 169.78 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.5 p -92.84 178.12 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -48.1 -46.95 34.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 45' ' ' GLN . 4.9 m-80 -99.47 24.78 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.486 ' CA ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER 31.29 39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ASN . 44.5 mtp180 -107.57 -2.99 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 54.9 m-85 -148.07 140.59 24.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.0 mt -105.16 143.57 33.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -129.85 154.94 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 58' ' ' ILE . 8.1 mt -129.84 160.09 34.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -143.66 132.43 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 156.56 -118.45 0.84 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLY . 8.7 m-20 -37.18 -45.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -167.49 168.4 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.57 105.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.471 ' HB3' HD12 ' A' ' 50' ' ' LEU . 6.7 m-85 -121.45 146.52 46.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -144.05 131.94 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.63 ' CD1' HD11 ' A' ' 50' ' ' LEU . 37.7 mt -125.82 111.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.31 140.93 31.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.19 -17.8 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 59' ' ' GLU . 12.2 m -73.92 -16.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -101.1 -31.53 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mt -56.76 122.08 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.8 m -88.8 -67.16 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 66' ' ' VAL . 38.4 m -106.98 156.69 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.929 HG13 ' CD2' ' A' ' 87' ' ' LEU . 48.6 t -148.23 106.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 12.0 pt20 -129.8 155.71 45.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.1 132.15 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.75 145.33 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.4 p -140.91 108.6 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -104.74 117.79 34.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.44 102.71 0.8 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.4 m-85 -56.68 -60.09 10.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 110.875 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.73 148.89 66.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 134.57 28.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.38 -44.9 6.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.05 107.2 1.96 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.41 -136.54 3.93 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.01 -61.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.91 111.74 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' N ' ' HD3' ' A' ' 81' ' ' ARG . 0.2 OUTLIER -70.34 115.13 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.26 118.29 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 83' ' ' THR . 19.6 m -118.91 17.96 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.73 -174.57 43.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.405 ' HB3' HD12 ' A' ' 102' ' ' LEU . 2.3 ttm -151.53 143.58 23.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 31.8 t80 -130.45 100.03 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.929 ' CD2' HG13 ' A' ' 66' ' ' VAL . 12.3 mt -103.48 151.51 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -126.96 128.32 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -140.69 145.31 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.0 p -97.76 141.96 30.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.61 127.21 27.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.34 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.7 -11.7 85.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -123.58 146.65 47.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -91.57 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.37 -178.01 16.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.16 147.5 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.0 m -123.16 135.67 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -108.17 154.62 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.84 123.91 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -104.73 135.3 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 85' ' ' MET . 51.8 mt -127.81 133.64 49.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -138.07 135.38 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.09 127.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.47 HG22 HD11 ' A' ' 25' ' ' LEU . 52.6 t -81.2 146.53 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -76.7 -67.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.3 82.52 6.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.6 p -158.33 145.91 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.6 m -40.53 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 22.0 t -39.43 149.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -103.79 178.51 24.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 116' ' ' VAL . 11.6 mmt85 -74.68 -38.79 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtt-85 -63.65 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -77.58 -66.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.53 -59.14 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.784 ' HA ' HD12 ' A' ' 119' ' ' LEU . 86.2 t -46.62 -44.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.08 -54.36 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 25.7 t90 -52.0 -45.75 64.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 116' ' ' VAL . 44.2 mt -49.39 -71.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.18 -37.12 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.46 -27.3 47.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.6 tpt -72.87 -64.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -54.61 -41.99 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -63.74 -41.21 98.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.63 67.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.961 ' HB1' ' CE1' ' A' ' 130' ' ' TYR . . . -51.61 -33.29 32.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -53.77 -19.63 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.549 ' CD1' ' CE1' ' A' ' 11' ' ' TYR . 14.4 mt -83.64 -51.57 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -71.2 -22.19 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.961 ' CE1' ' HB1' ' A' ' 126' ' ' ALA . 3.3 m-30 -69.39 -63.17 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -106.27 158.86 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.3 m -126.41 95.32 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.32 170.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -43.07 106.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -38.09 113.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 m -158.0 108.95 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.87 73.33 0.56 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.39 11.03 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 75.0 p -127.99 90.32 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.7 m -112.4 98.4 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -163.27 138.39 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -59.04 -44.22 91.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.85 145.53 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -102.6 -55.76 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -41.55 -56.28 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.27 138.61 8.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.57 82.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -45.33 -49.3 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -44.14 -54.9 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -62.76 -55.51 25.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -37.35 -43.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' N ' ' HE2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -67.19 -50.74 59.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -47.76 -26.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.97 -69.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.45 -36.99 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 71.2 t -60.11 -50.2 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.0 mt -63.06 -56.13 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 20' ' ' SER . 73.5 mt -53.9 -52.85 59.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 25.6 t -34.83 -47.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.59 131.74 3.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -120.73 163.07 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.067 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.529 ' CG2' HG23 ' A' ' 36' ' ' THR . 17.1 m -87.22 147.22 25.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 66.4 m-85 -157.22 151.0 24.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' HB2' ' A' ' 34' ' ' PRO . 18.2 mt -89.1 107.57 19.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 100' ' ' LEU . 88.3 t -95.22 120.74 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -105.67 96.17 6.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 91.3 m-85 -72.14 135.79 46.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.29 -37.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -83.96 -41.05 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' PHE . 21.5 m -75.63 81.87 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -47.64 -32.91 6.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -102.52 135.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.715 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.68 153.66 69.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.5 152.32 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.529 HG23 ' CG2' ' A' ' 23' ' ' THR . 56.1 m -74.8 106.0 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.464 ' HE2' ' C ' ' A' ' 51' ' ' ASP . 39.6 mtp -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.4 m -109.28 138.02 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.402 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 84.2 m -126.1 118.27 24.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -139.7 167.78 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 45' ' ' GLN . 6.3 mt -103.08 166.74 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -83.34 177.98 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -43.53 -60.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -96.35 23.42 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' HB3' HD22 ' A' ' 41' ' ' LEU . 68.6 mt-30 46.74 42.89 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -98.02 -25.81 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.64 155.29 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -113.01 142.02 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.967 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.81 149.57 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' A' ' 56' ' ' TYR . 9.1 mt -123.26 159.8 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' C ' ' HE2' ' A' ' 37' ' ' MET . 4.3 m-20 -140.32 116.88 10.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.89 -124.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -46.29 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -152.34 167.14 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -61.36 103.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.658 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.3 m-85 -112.96 150.04 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -157.09 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' HD22 ' A' ' 100' ' ' LEU . 56.9 mt -104.75 100.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.683 ' HB3' HG22 ' A' ' 61' ' ' VAL . 18.8 mp0 -65.74 114.39 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 63' ' ' ILE . 79.1 mt -48.07 -38.13 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 59' ' ' GLU . 19.3 m -50.69 -31.59 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -82.49 -41.59 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 60' ' ' ILE . 67.5 mt -49.26 128.39 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -101.33 -54.95 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.2 m -103.94 146.76 28.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.6 t -146.96 105.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -136.9 160.77 37.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.493 HD11 ' CB ' ' A' ' 123' ' ' HIS . 91.0 mt -102.35 137.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 96.1 mt -89.84 133.13 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 p -142.06 116.38 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.46 -37.39 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.57 112.52 1.6 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -73.24 134.5 80.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 119.71 6.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -23.58 30.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.78 -67.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.04 -150.37 5.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.3 -75.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -145.48 149.99 35.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.54 150.82 43.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -166.45 167.91 15.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.53 117.2 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.3 p -92.55 -39.2 11.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -143.69 -171.25 13.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -141.94 146.88 36.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -128.46 121.27 28.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.76 138.67 47.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.64 135.65 53.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -154.1 154.81 34.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 97' ' ' VAL . 40.1 p -109.45 131.21 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.63 130.19 56.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.734 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 91.42 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.757 2.305 . . . . 0.0 112.35 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.02 17.88 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -140.4 175.09 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.1 144.38 41.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.63 -173.4 45.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG22 HG22 ' A' ' 90' ' ' THR . 46.7 t -122.2 141.11 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.4 m -107.62 129.13 55.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.1 140.33 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 26' ' ' VAL . 10.3 tp -106.06 150.74 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 45.8 tttm -132.95 123.11 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.479 ' CD2' HG22 ' A' ' 26' ' ' VAL . 34.8 mt -113.91 144.2 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.1 m -143.23 154.35 43.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.627 HG11 ' HG3' ' A' ' 112' ' ' ARG . 85.8 t -73.05 135.95 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m -104.83 144.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -99.75 95.92 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.46 -47.17 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 109' ' ' THR . 12.0 p -106.96 156.13 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' VAL . 25.2 p -34.12 -47.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.418 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.9 p -157.57 121.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -163.46 38.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.627 ' HG3' HG11 ' A' ' 104' ' ' VAL . 18.5 ttt180 -78.38 -45.65 21.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -38.21 -45.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -53.93 -63.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.97 -59.21 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.545 ' HA ' HD12 ' A' ' 119' ' ' LEU . 38.6 t -44.9 -48.23 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.424 ' O ' ' CG1' ' A' ' 120' ' ' VAL . . . -53.06 -51.03 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.542 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 45.7 t90 -56.79 -42.94 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 116' ' ' VAL . 33.8 mt -59.86 -52.83 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.478 ' CG2' ' HE3' ' A' ' 124' ' ' LYS . 5.7 p -63.07 -40.65 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.36 88.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.3 tpt -61.86 -54.46 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.493 ' CB ' HD11 ' A' ' 68' ' ' ILE . 44.4 t-80 -59.36 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 120' ' ' VAL . 28.7 mttt -43.58 -59.4 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -55.58 -50.09 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -34.45 -48.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . 94.9 mttt -41.14 -53.52 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.2 mt -38.5 -53.15 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 126' ' ' ALA . 11.6 mt -40.07 -58.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -95.58 -63.22 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 127' ' ' LYS . 55.6 mt-10 -46.62 -23.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.2 t -132.12 53.58 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -44.61 157.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.03 158.14 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -94.14 -49.27 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.3 m -130.54 158.44 39.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -161.92 -154.21 7.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -177.57 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 84.5 p -91.5 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.0 t -63.36 153.77 34.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -123.46 154.52 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -148.84 136.1 20.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.77 85.26 1.43 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -65.15 161.58 18.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -98.11 124.04 42.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.48 69.09 1.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.53 88.06 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -81.74 -32.56 31.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -59.82 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -59.46 -14.65 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.03 -20.83 21.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -89.17 -24.24 22.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 4.5 pp0? -88.89 -39.82 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.23 -43.45 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' N ' HD12 ' A' ' 15' ' ' LEU . 20.5 pttp -54.1 -33.04 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 117' ' ' ALA . 94.8 t -75.19 -40.33 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 21.4 mt -61.44 -59.34 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 20' ' ' SER . 96.9 mt -48.37 -60.47 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 5.6 t -34.47 -42.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.35 137.86 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -134.9 173.4 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -87.92 147.8 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 20.5 m-85 -155.35 156.25 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.441 ' HG ' ' CG2' ' A' ' 105' ' ' VAL . 35.9 mt -96.01 106.14 18.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.678 HG13 HD11 ' A' ' 100' ' ' LEU . 43.0 t -93.87 130.53 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.27 108.56 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' SER . 57.3 m-85 -77.9 139.5 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -36.07 -40.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.29 -41.8 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 m -73.09 119.43 17.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.51 -21.2 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -110.27 133.52 21.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 144.83 55.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -124.58 149.83 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -69.51 112.58 6.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB2' HG23 ' A' ' 26' ' ' VAL . 22.5 mtp -132.23 151.27 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 m -101.92 124.98 48.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.08 118.71 34.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.61 161.7 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 HD22 ' A' ' 18' ' ' LEU . 9.2 mt -103.95 132.36 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 4.7 t -63.12 173.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -52.62 -40.04 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.76 -17.7 60.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 20.5 mt-30 54.76 39.97 31.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -121.43 -19.73 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -123.91 140.99 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 mt -101.39 133.04 46.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 42' ' ' SER . 12.8 m-85 -112.47 153.93 26.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 56' ' ' TYR . 19.0 mt -133.82 134.06 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -117.07 132.62 56.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 157.88 -133.12 3.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER -35.49 -45.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -152.69 -179.02 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -87.67 85.08 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.703 ' HB3' HD12 ' A' ' 50' ' ' LEU . 13.3 m-85 -95.08 145.68 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.477 ' N ' ' OE1' ' A' ' 57' ' ' GLU . 41.0 mp0 -146.95 123.36 11.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.97 100.08 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.727 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.4 pm0 -67.35 127.73 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.9 mt -58.88 -30.77 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.727 HG22 ' HB2' ' A' ' 59' ' ' GLU . 27.2 m -52.06 -27.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -91.64 -45.38 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mt -43.2 128.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -107.69 -50.72 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.4 m -104.65 131.33 52.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.635 HG13 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -134.3 102.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 15.4 pt20 -131.32 159.29 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 84' ' ' GLY . 72.6 mt -104.9 137.17 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 85.4 mt -90.9 127.39 36.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 82' ' ' ALA . 61.1 p -132.69 119.88 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -73.79 123.9 25.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.28 118.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -106.58 141.04 21.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.79 59.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -25.47 28.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.99 -60.46 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.49 166.37 11.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.22 -49.58 0.77 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -122.99 94.56 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.38 84.53 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.67 103.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.738 ' HA ' HG22 ' A' ' 70' ' ' THR . . . -74.78 85.27 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.6 p -83.94 33.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 157.38 -172.45 34.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.725 ' HB3' HD12 ' A' ' 102' ' ' LEU . 3.0 ttt -156.85 128.66 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 28.6 t80 -109.25 122.25 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.635 ' CD2' HG13 ' A' ' 66' ' ' VAL . 9.0 mt -128.1 168.54 15.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -145.84 131.94 19.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 19.4 p90 -140.72 167.07 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -121.5 133.48 55.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.663 ' HB ' HG22 ' A' ' 94' ' ' THR . 9.2 t -100.26 128.92 29.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.01 2.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.336 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.524 ' H ' HG12 ' A' ' 91' ' ' VAL . . . -127.6 17.99 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.663 HG22 ' HB ' ' A' ' 91' ' ' VAL . 1.6 t -141.37 160.97 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.144 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -102.46 111.16 23.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.64 -165.09 12.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.68 152.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.415 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 56.9 m -122.33 136.64 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -111.79 148.38 33.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.678 HD11 HG13 ' A' ' 26' ' ' VAL . 11.2 tp -119.07 139.38 51.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 1.6 ttmp? -121.46 131.08 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 85' ' ' MET . 24.3 mt -122.06 148.02 45.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 104' ' ' VAL . 2.4 m -142.83 164.47 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.692 HG11 ' HG2' ' A' ' 112' ' ' ARG . 13.8 t -97.44 135.09 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.441 ' CG2' ' HG ' ' A' ' 25' ' ' LEU . 22.0 t -125.83 152.48 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.09 -30.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -54.61 -44.21 72.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.562 HG13 ' N ' ' A' ' 109' ' ' THR . 14.0 p -73.99 -47.85 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.562 ' N ' HG13 ' A' ' 108' ' ' VAL . 12.9 p -154.94 130.81 10.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.1 t -70.88 89.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.69 47.09 0.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.692 ' HG2' HG11 ' A' ' 104' ' ' VAL . 1.2 tmm_? -69.86 -38.05 76.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.9 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -42.63 99.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -70.42 -55.21 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.01 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.49 -41.69 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' CB ' HG11 ' A' ' 17' ' ' VAL . . . -66.61 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 36.9 t90 -67.91 -44.59 76.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.671 HD22 ' HB2' ' A' ' 85' ' ' MET . 23.8 mt -60.03 -61.69 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.2 p -47.98 -45.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.485 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -65.68 -42.12 91.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -50.83 -51.24 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -65.83 -60.83 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -40.0 -47.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.42 -41.11 69.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.09 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.06 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.45 -32.36 42.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.2 -60.6 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.66 -55.19 5.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -101.13 165.98 11.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 p -163.58 163.11 24.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -142.95 153.64 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -96.75 -51.11 4.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -141.61 156.36 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.3 m -113.42 42.93 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.42 83.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.529 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.96 15.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.618 2.212 . . . . 0.0 112.368 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.2 m -41.24 158.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m 55.51 51.72 12.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -160.25 153.65 22.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLY . 34.7 m -63.84 159.65 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.16 -145.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.509 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -78.44 175.17 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -140.89 147.43 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.43 -105.18 3.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.62 49.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.5 -6.51 46.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.5 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 30.3 t80 -74.56 -44.93 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.488 ' CB ' HD11 ' A' ' 15' ' ' LEU . 14.1 m-85 -95.7 -37.92 10.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 15' ' ' LEU . 2.6 m-20 -42.72 -22.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 5.5 ptpt -68.27 -48.13 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.579 HE22 HD23 ' A' ' 15' ' ' LEU . 1.5 pp0? -88.17 -45.12 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 HE22 ' A' ' 14' ' ' GLN . 23.7 mt -40.96 -53.79 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -56.39 -37.9 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.4 t -66.32 -45.54 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 41' ' ' LEU . 15.0 mt -62.26 -51.37 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.5 -60.28 3.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -42.92 -44.45 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.43 134.22 6.13 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.01 -178.69 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 m -107.71 148.8 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -156.94 168.53 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 34' ' ' PRO . 36.2 mt -106.62 103.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -92.64 134.38 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 m -118.16 120.72 38.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -90.22 141.09 29.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -38.52 -41.75 1.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -77.46 -48.8 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -76.2 99.42 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.28 -23.69 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -96.19 135.66 22.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.77 148.6 65.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -122.94 144.63 49.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.0 m -76.33 104.82 7.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 33.0 mtp -118.42 174.06 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.6 m -125.44 128.23 47.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.168 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.2 m -111.48 140.86 45.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -155.26 164.58 38.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' CD1' HD13 ' A' ' 18' ' ' LEU . 6.4 mt -106.11 162.31 13.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -72.79 172.8 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -49.91 -43.25 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -103.73 22.68 14.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 42.5 41.39 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -100.13 -17.93 17.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD1' ' OE1' ' A' ' 59' ' ' GLU . 92.8 m-85 -145.85 149.26 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -100.09 147.51 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.83 141.31 42.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' A' ' 56' ' ' TYR . 25.1 mt -106.76 159.59 16.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.05 118.74 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 176.11 -134.88 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' GLY . 1.9 p-10 -37.87 -41.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.65 162.26 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -72.4 126.59 30.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HB3' HD12 ' A' ' 50' ' ' LEU . 23.8 m-85 -149.81 154.74 38.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.2 pm0 -155.9 136.91 13.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.431 HD11 HD11 ' A' ' 50' ' ' LEU . 10.9 mt -120.7 108.45 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' OE1' ' CD1' ' A' ' 47' ' ' TYR . 9.7 mm-40 -67.13 133.49 49.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.481 HG22 ' O ' ' A' ' 60' ' ' ILE . 62.0 mt -64.31 -12.38 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.7 m -76.73 -33.84 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -80.93 -28.03 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.8 mt -63.53 134.73 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -112.39 -55.4 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -104.55 141.42 36.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.79 110.26 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -139.11 160.26 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.5 mt -105.58 138.73 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.36 124.19 36.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 82' ' ' ALA . 23.2 p -132.08 120.45 22.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 0.6 OUTLIER -49.95 179.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.439 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 93.54 78.05 1.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 2.1 m-85 -47.47 -60.37 4.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.664 0.745 . . . . 0.0 110.877 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.3 Cg_endo -69.81 168.14 22.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -33.82 15.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.21 -147.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.6 -59.41 3.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.22 62.46 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -62.2 143.09 57.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.52 64.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -140.44 127.96 21.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 70' ' ' THR . . . -94.01 128.59 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.3 p -100.03 -27.3 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -157.05 -177.48 30.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.681 ' HB3' HD12 ' A' ' 102' ' ' LEU . 5.1 ttm -141.74 145.78 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 37.1 t80 -123.89 129.66 51.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -135.15 151.12 50.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -128.11 135.76 50.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.534 ' OH ' HD13 ' A' ' 100' ' ' LEU . 5.7 p90 -152.72 146.38 25.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.403 HG22 HG22 ' A' ' 97' ' ' VAL . 66.5 p -98.78 140.2 33.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.674 HG13 ' HD2' ' A' ' 92' ' ' PRO . 91.9 t -92.86 138.81 23.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.68 0.753 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.78 126.75 13.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 2.223 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 -30.16 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -90.67 137.51 32.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -91.29 113.88 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 166.11 11.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 90' ' ' THR . 39.3 t -108.57 137.72 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.8 m -110.19 136.18 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.493 ' CD ' ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -105.04 158.84 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.534 HD13 ' OH ' ' A' ' 89' ' ' TYR . 3.3 tp -136.94 124.16 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -104.38 145.42 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' A' ' 85' ' ' MET . 57.8 mt -131.52 129.4 41.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -137.22 143.24 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.11 132.65 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 106' ' ' GLU . 9.9 p -99.26 157.86 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -105.02 139.11 40.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.1 -175.15 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.92 -18.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' VAL . 1.6 m -69.68 -33.97 73.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 110' ' ' VAL . 18.3 m 35.92 38.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -96.49 44.99 1.92 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 114' ' ' GLN . 12.0 mtm180 -51.33 -49.67 60.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -40.14 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' ARG . 30.0 tp60 -74.75 -64.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.01 -57.84 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.72 -38.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.5 -62.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.577 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 26.5 t90 -40.74 -30.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.84 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.04 -37.33 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 14' ' ' GLN . . . -65.82 -34.18 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.47 -54.07 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -63.8 -48.34 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -52.26 -41.44 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.3 40.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.08 -27.08 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 131' ' ' GLU . 8.4 mtpm? -61.04 -56.23 23.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.98 -29.62 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.73 -40.72 79.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -102.14 -63.05 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 127' ' ' LYS . 14.0 mm-40 -48.49 -25.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 t -132.45 170.53 14.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -120.5 -179.24 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.31 -55.53 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -67.09 109.91 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.9 m -139.03 172.0 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 137.35 67.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 155.35 66.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.4 p -64.27 133.44 52.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.4 p -128.09 128.42 44.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -133.32 116.75 16.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -150.66 146.28 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.43 -42.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -87.56 122.56 31.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -82.95 99.09 9.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.76 -49.01 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 11' ' ' TYR . . . -84.8 75.58 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.715 0.293 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' PHE . 2.9 pt-20 -47.73 -58.06 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' GLU . 2.8 t80 -36.98 -57.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' OH ' HD21 ' A' ' 128' ' ' LEU . 40.4 m-85 -56.82 -58.19 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.507 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -38.33 -29.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' TYR . 18.5 mmtp -86.32 -44.92 11.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . 31.4 mt-30 -59.47 -18.53 40.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.85 -43.63 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' N ' HD12 ' A' ' 15' ' ' LEU . 10.7 ptpt -75.71 -39.73 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 84.2 t -68.45 -40.93 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.717 HD22 HD12 ' A' ' 41' ' ' LEU . 19.5 mt -61.83 -61.82 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -46.23 -50.86 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -40.62 -54.91 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.82 145.21 18.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -132.96 155.67 48.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -87.96 144.85 26.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 82.2 m-85 -153.66 175.6 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 34' ' ' PRO . 21.3 mt -104.44 112.48 25.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -102.54 135.13 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -124.72 108.65 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -84.86 169.56 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.53 92.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -78.12 -42.82 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -80.29 119.05 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.2 -30.72 34.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -102.62 139.05 19.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.74 143.33 50.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -121.0 146.97 46.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 m -69.59 106.92 3.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 mtt -121.39 176.74 5.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.0 m -126.4 127.88 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.1 m -118.11 117.46 29.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -140.97 163.39 33.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.717 HD12 HD22 ' A' ' 18' ' ' LEU . 7.7 mt -102.98 129.62 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.56 168.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -51.79 -34.52 40.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.93 -20.14 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 56.67 40.12 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -126.38 -2.43 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -146.5 145.48 30.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.03 144.96 29.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -133.3 146.26 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 56' ' ' TYR . 12.4 mt -118.66 155.54 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -149.56 133.41 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 159.12 -131.22 2.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' GLY . 28.5 t70 -35.48 -48.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -150.1 168.95 22.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 5.9 p80 -71.92 122.3 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.82 ' HB3' HD12 ' A' ' 50' ' ' LEU . 11.0 m-85 -138.88 150.58 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -149.87 126.45 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.66 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.731 ' HB3' HG22 ' A' ' 61' ' ' VAL . 40.1 mt-10 -66.32 113.03 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 59' ' ' GLU . 33.6 m -61.11 -28.78 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.619 ' HD2' HG23 ' A' ' 61' ' ' VAL . 8.0 m170 -85.19 -41.9 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -45.95 119.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -92.82 -59.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -104.01 146.38 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.487 HG13 HD23 ' A' ' 87' ' ' LEU . 66.6 t -142.03 105.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -135.85 146.44 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 84' ' ' GLY . 90.1 mt -102.67 136.03 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.4 mt -85.79 122.76 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 p -118.28 113.48 21.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -84.61 -57.13 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.15 -70.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -43.13 118.58 2.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.97 13.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -15.37 36.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.637 2.225 . . . . 0.0 112.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.07 69.29 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.08 49.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.445 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.79 115.48 4.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.84 107.3 14.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.7 155.72 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -80.17 -56.72 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.08 116.02 28.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.8 m -94.23 -37.36 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.55 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -147.2 178.55 24.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.495 ' SD ' HD12 ' A' ' 102' ' ' LEU . 5.3 ttm -140.22 155.44 46.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 28.1 t80 -133.08 146.15 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.487 HD23 HG13 ' A' ' 66' ' ' VAL . 11.1 mt -151.2 140.77 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -122.63 128.85 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -145.01 175.05 10.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.1 p -120.28 143.31 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 92' ' ' PRO . 84.4 t -90.72 138.67 26.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.99 27.61 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 m -145.37 139.82 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.757 0.313 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.3 114.38 26.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 174.35 13.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.7 t -120.64 133.71 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.5 m -105.66 135.41 47.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -113.62 143.26 44.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD23 HD21 ' A' ' 102' ' ' LEU . 1.6 tp -113.18 158.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -137.98 135.71 36.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.495 HD12 ' SD ' ' A' ' 85' ' ' MET . 6.1 mt -127.44 131.98 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -143.66 150.9 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -76.79 122.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 m -54.25 145.37 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -85.04 40.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' VAL . 38.5 m-20 -99.48 159.15 15.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' ASP . 10.3 p -34.67 146.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.5 p -58.05 123.17 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 m -128.09 -40.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.92 54.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -54.89 -53.32 57.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -50.07 -41.83 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -57.35 -62.02 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.33 -68.05 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' A' ' 119' ' ' LEU . 87.6 t -39.9 -40.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -51.51 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 16.7 t90 -62.63 -28.92 70.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 116' ' ' VAL . 67.3 mt -61.13 -60.64 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.42 -34.1 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.85 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.54 ' HG3' ' CH2' ' A' ' 118' ' ' TRP . 1.2 tmt? -43.68 -68.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -42.02 -62.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 128' ' ' LEU . 14.6 mttp -40.47 -39.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -77.92 -41.51 36.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.505 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -42.27 -29.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -81.66 -33.11 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.548 HD21 ' OH ' ' A' ' 11' ' ' TYR . 3.6 mm? -55.9 -39.58 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.82 -56.9 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -69.22 -61.23 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.89 -39.49 65.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m 62.83 31.6 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -122.19 109.21 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.04 42.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -60.2 171.85 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t -86.18 42.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.786 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.2 161.76 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 139' ' ' SER . 54.0 Cg_endo -69.74 178.9 4.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 140' ' ' SER . 5.7 m -35.31 132.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 139' ' ' SER . 35.3 t -34.97 -55.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -120.0 138.48 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 59.9 m -76.6 -49.99 14.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.02 113.83 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.65 116.24 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -101.64 151.29 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.69 -41.09 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 81.28 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.41 -46.48 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -47.86 -49.27 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -70.06 -28.3 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.12 -22.65 60.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.3 mtpp -86.77 -26.24 24.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -81.57 -41.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.952 HD12 ' N ' ' A' ' 16' ' ' LYS . 3.5 pp -66.22 -45.48 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.952 ' N ' HD12 ' A' ' 15' ' ' LEU . 15.5 pttp -60.64 -43.87 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 13' ' ' LYS . 76.3 t -64.91 -42.67 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 76.4 mt -63.5 -63.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -46.35 -48.15 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 t -42.07 -36.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.94 135.02 2.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.686 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -128.49 157.37 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -89.2 142.34 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.686 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.3 m-85 -154.28 161.86 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.874 HD22 ' HB2' ' A' ' 34' ' ' PRO . 13.7 mt -97.6 119.6 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 100' ' ' LEU . 65.8 t -104.66 122.1 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.32 116.32 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.02 135.42 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.63 -33.1 1.45 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' OD1' ' C ' ' A' ' 30' ' ' ASN . 32.3 t-20 -73.9 -46.83 42.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -89.02 131.07 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.05 -25.56 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -105.31 138.99 19.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.874 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.82 170.3 16.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -141.72 143.32 33.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.8 m -66.29 112.01 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 41.7 mtp -131.16 149.33 52.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -99.19 124.1 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 27.1 m -109.68 119.11 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -138.79 161.85 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 18' ' ' LEU . 6.8 mt -105.01 165.02 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -75.78 175.29 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -44.01 -55.96 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -99.68 19.16 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 53.12 48.11 22.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.536 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 47.2 mtp180 -97.83 -10.33 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 46' ' ' ARG . 9.9 m-85 -159.44 153.88 24.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.05 149.55 23.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.05 134.4 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 34.9 mt -112.91 157.81 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -138.64 144.21 39.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 148.62 -132.46 4.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' GLY . 14.6 m-20 -36.34 -49.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -148.08 178.76 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -83.41 99.24 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -110.99 152.45 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -155.21 122.39 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.27 99.94 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.805 ' HB3' HG22 ' A' ' 61' ' ' VAL . 41.0 mt-10 -64.48 118.97 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.1 mt -54.22 -26.63 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 59' ' ' GLU . 18.0 m -61.88 -18.05 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -99.17 -35.52 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 88' ' ' GLN . 62.9 mt -53.43 134.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.3 m -105.56 -63.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.0 m -104.08 139.53 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 87' ' ' LEU . 86.3 t -134.97 100.97 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -126.38 159.41 33.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 123' ' ' HIS . 80.3 mt -108.58 142.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.458 HD13 ' HE3' ' A' ' 101' ' ' LYS . 84.4 mt -89.17 101.71 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 p -109.05 148.09 31.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.83 -38.59 82.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.49 101.56 2.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.638 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 1.3 t80 -59.99 -52.27 74.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 54.1 Cg_endo -69.72 148.68 65.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -178.42 2.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.9 -157.27 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.39 -92.22 1.07 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -146.61 -134.35 2.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -87.48 122.97 31.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.35 126.13 34.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -113.15 91.52 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 105.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -92.58 24.64 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 161.99 -170.14 37.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.535 ' HB2' HD22 ' A' ' 119' ' ' LEU . 3.6 ttt -148.44 151.19 34.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -129.83 113.55 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.721 ' CD2' HG13 ' A' ' 66' ' ' VAL . 6.7 mt -119.46 152.76 36.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 63' ' ' ILE . 28.4 mt-30 -126.94 140.83 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 16.0 p90 -154.43 168.39 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.9 p -116.94 143.0 46.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.681 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.4 t -119.1 138.94 26.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.676 0.75 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.681 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.1 Cg_endo -69.75 130.65 19.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.4 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.56 -49.0 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -76.36 171.51 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 111.123 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.68 125.37 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.38 -161.25 13.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -124.62 138.15 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.464 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 92.7 m -100.35 152.34 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -125.32 151.4 46.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.428 HD11 ' CG1' ' A' ' 26' ' ' VAL . 5.0 tp -124.53 117.41 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 69' ' ' LEU . 52.3 tttt -98.19 132.54 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 85' ' ' MET . 73.8 mt -118.91 137.76 53.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.3 m -141.32 132.0 25.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' HB1' ' A' ' 115' ' ' ALA . 69.9 t -67.84 130.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.99 140.93 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -72.42 113.18 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -130.45 -42.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -135.31 148.5 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.3 m -41.71 -69.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' VAL . 26.8 m -91.42 96.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.22 -45.23 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.535 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.763 ' O ' HG23 ' A' ' 116' ' ' VAL . 13.0 mmt180 -40.04 -41.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -49.79 -53.97 22.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -60.85 -66.23 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 104' ' ' VAL . . . -43.71 -59.14 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 112' ' ' ARG . 98.9 t -47.55 -51.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.71 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.518 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 27.7 t90 -54.75 -40.92 69.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 85' ' ' MET . 66.5 mt -61.91 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.66 -38.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.84 41.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' HD11 ' A' ' 41' ' ' LEU . 15.4 tpt -47.9 -45.02 30.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.555 ' HD1' ' C ' ' A' ' 123' ' ' HIS . 1.3 t-80 -67.15 -47.13 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -53.22 -54.89 29.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -53.0 58.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -37.38 -33.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -60.53 -54.39 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.68 -45.11 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.02 -53.14 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.47 -62.59 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -63.18 177.17 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -79.2 162.62 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.88 126.42 52.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -104.16 126.15 51.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -56.44 117.33 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 t -94.46 152.75 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.31 82.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 178.2 4.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.6 t -135.49 108.94 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 34.2 t -83.98 106.56 15.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -165.48 160.09 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -116.82 151.61 36.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.827 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.9 131.36 10.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -44.4 164.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -116.89 145.96 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.95 72.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.27 93.13 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.167 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -75.91 -39.06 57.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -51.84 -43.67 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' GLN . 10.6 m-85 -77.63 -42.42 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' HA ' HD12 ' A' ' 15' ' ' LEU . 4.7 m-20 -42.03 -32.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -68.25 -39.25 82.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' TYR . 67.5 mt-30 -79.09 -38.01 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 12' ' ' ASP . 69.6 mt -50.18 -58.81 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 12.5 pttp -52.41 -38.11 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.475 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 54.6 t -69.64 -37.81 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 12.4 mt -70.52 -66.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -48.69 -43.07 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -46.29 -52.67 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.53 154.57 27.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.447 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.865 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -142.62 179.94 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 m -105.6 135.88 46.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.865 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 6.3 m-85 -148.26 172.48 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.822 HD22 ' HB2' ' A' ' 34' ' ' PRO . 13.8 mt -103.63 113.8 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' HD11 ' A' ' 100' ' ' LEU . 52.4 t -100.78 129.57 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 126.62 55.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -97.43 140.38 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.68 -27.84 2.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -80.1 -45.9 17.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 98.7 p -92.85 131.87 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -13.27 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -101.79 129.34 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.822 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.79 150.6 68.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.598 ' C ' HD23 ' A' ' 25' ' ' LEU . 14.4 tt0 -128.33 142.26 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -70.41 105.1 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mtp -120.59 175.55 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -119.86 128.0 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.8 122.97 42.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 161.32 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 45' ' ' GLN . 7.3 mt -102.88 121.69 43.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.02 177.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -42.89 135.32 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.9 t-20 51.72 25.02 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.564 ' HB2' HD22 ' A' ' 41' ' ' LEU . 24.2 pt20 44.13 45.15 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 14.3 mmm180 -93.51 -4.27 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 90.5 m-85 -157.85 161.59 38.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.7 mt -119.94 133.34 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -119.24 151.95 37.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD11 HD11 ' A' ' 58' ' ' ILE . 15.4 mt -125.6 158.91 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -141.49 136.94 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . . . 158.34 -151.38 22.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' GLY . 4.9 m-20 -36.39 -31.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 52' ' ' GLY . 19.9 m -152.4 143.74 23.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -77.38 107.74 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.535 ' CB ' HD12 ' A' ' 50' ' ' LEU . 13.1 m-85 -104.03 168.91 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -148.47 116.31 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.653 HD11 HD11 ' A' ' 50' ' ' LEU . 44.1 mt -113.54 100.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.734 ' HB2' HG22 ' A' ' 61' ' ' VAL . 2.1 pm0 -78.53 122.25 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.2 mt -50.18 -33.25 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 59' ' ' GLU . 18.3 m -52.66 -28.41 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -89.65 -48.93 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.9 mt -38.05 128.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -100.63 -61.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -103.96 149.14 25.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.595 HG13 HD23 ' A' ' 87' ' ' LEU . 85.7 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -135.33 159.15 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 84' ' ' GLY . 49.1 mt -108.35 135.17 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.81 128.53 34.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.8 p -134.4 117.68 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -133.32 102.94 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.08 84.13 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CB ' ' CD ' ' A' ' 74' ' ' PRO . 4.6 m-85 -48.17 -61.46 3.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 73' ' ' PHE . 54.1 Cg_endo -69.8 149.67 66.92 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 158.01 58.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.99 -99.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.77 -54.01 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.05 -106.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -47.39 166.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.48 38.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 42.06 35.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.66 ' HB3' HG13 ' A' ' 116' ' ' VAL . . . -99.36 103.27 15.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.2 p -85.97 -25.59 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -171.82 -159.88 19.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.3 ttm -150.49 157.55 43.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 23.8 t80 -128.32 142.66 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD23 HG13 ' A' ' 66' ' ' VAL . 4.6 mt -148.21 142.87 26.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -124.51 131.57 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -145.91 171.4 14.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.6 p -119.31 145.59 46.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 92' ' ' PRO . 58.1 t -104.71 133.84 19.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.69 95.06 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.41 10.11 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -124.09 162.99 22.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 111.123 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -106.35 110.63 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.88 -169.96 13.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.19 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.6 m -109.26 131.89 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 16.7 pt20 -104.13 164.8 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD11 ' CG1' ' A' ' 26' ' ' VAL . 6.9 tp -140.6 138.62 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -118.07 127.53 53.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.54 ' CD2' HG22 ' A' ' 26' ' ' VAL . 91.3 mt -117.39 136.89 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -140.1 145.57 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.5 t -71.24 148.36 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.567 HG11 ' HG ' ' A' ' 25' ' ' LEU . 16.4 m -141.71 144.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -125.71 49.57 1.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.34 -36.2 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.65 -28.06 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.3 m -150.39 143.36 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.83 100.88 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 174.51 63.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 18.2 mtt85 -43.39 -42.85 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 41.9 mtt180 -37.5 -49.51 1.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -49.37 -68.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 24' ' ' PHE . . . -56.05 -57.66 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' A' ' 119' ' ' LEU . 82.0 t -42.55 -47.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.15 81.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.574 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 12.1 t90 -65.89 -30.67 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 116' ' ' VAL . 65.7 mt -66.4 -48.51 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.8 -35.43 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.87 -46.81 87.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.546 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.1 tmt? -50.0 -68.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' MET . 0.9 OUTLIER -37.8 -69.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.466 ' HE3' ' N ' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -42.86 -35.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.485 ' HB1' ' OE1' ' A' ' 45' ' ' GLN . . . -73.37 -41.66 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.96 -35.47 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.16 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.19 -34.66 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.39 -49.72 70.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.4 OUTLIER -83.6 -53.29 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -105.6 166.82 10.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.3 p -157.03 152.08 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -112.29 146.08 38.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.95 -55.12 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.38 114.46 26.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.1 m -49.38 -65.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.0 74.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 139' ' ' SER . 53.4 Cg_endo -69.81 -3.48 12.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.31 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 138' ' ' PRO . 34.7 m -35.6 -44.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.2 p -41.42 143.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -157.51 128.93 6.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 p -114.28 87.16 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.37 144.4 47.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.55 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -61.9 145.65 52.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -42.55 -44.22 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.67 -179.09 37.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 11' ' ' TYR . . . -113.41 42.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -41.47 -42.9 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -55.45 -53.5 55.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 12.6 m-85 -61.51 -46.47 89.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 15' ' ' LEU . 5.0 m-20 -41.76 -45.62 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -49.92 -38.98 38.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' LEU . 2.0 mp0 -84.39 -49.18 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 12' ' ' ASP . 82.8 mt -34.2 -61.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -48.19 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.5 t -52.25 -44.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.597 HD22 HD12 ' A' ' 41' ' ' LEU . 17.7 mt -64.42 -63.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 mt -46.55 -45.08 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -43.26 -45.42 5.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.68 130.96 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.669 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -120.08 164.25 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 39.5 m -95.22 147.03 23.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.669 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 34.7 m-85 -159.88 171.93 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 35' ' ' GLU . 15.0 mt -109.59 123.49 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -108.53 127.82 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -110.7 109.15 19.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 51.6 m-85 -87.43 139.71 30.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.24 -39.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -79.17 -59.54 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.63 97.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.61 -20.55 65.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -109.6 134.47 20.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.576 ' HB2' HD22 ' A' ' 25' ' ' LEU . 54.5 Cg_endo -69.7 134.16 27.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.652 ' C ' HD23 ' A' ' 25' ' ' LEU . 5.3 tm-20 -108.76 151.59 26.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -79.69 106.91 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.2 mtp -122.71 156.22 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -103.24 123.81 47.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 t -104.17 122.76 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -142.53 167.26 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.597 HD12 HD22 ' A' ' 18' ' ' LEU . 4.9 mt -108.98 157.29 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.42 166.91 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -46.84 -44.43 19.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.31 5.15 48.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 55.69 52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' CG ' ' A' ' 47' ' ' TYR . 6.5 mmm180 -108.03 -7.54 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.432 ' O ' HD23 ' A' ' 41' ' ' LEU . 8.3 m-85 -155.97 170.27 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 ' CE ' ' A' ' 122' ' ' MET . 44.9 mt -116.6 140.98 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -124.48 150.51 45.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' A' ' 56' ' ' TYR . 16.9 mt -127.79 147.07 50.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.48 118.31 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.37 -124.47 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -41.62 -48.55 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -152.6 164.56 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -69.03 96.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HB3' HD12 ' A' ' 50' ' ' LEU . 12.5 m-85 -109.42 149.57 29.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -149.89 117.61 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CD1' HD22 ' A' ' 100' ' ' LEU . 35.4 mt -100.07 103.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HB3' HG22 ' A' ' 61' ' ' VAL . 1.2 mp0 -69.61 122.92 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.0 -40.45 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.56 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.3 m -47.63 -27.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.9 m80 -88.47 -47.11 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 88' ' ' GLN . 32.7 mt -42.04 131.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -105.69 -57.1 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -103.96 145.85 29.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.528 HG13 HD23 ' A' ' 87' ' ' LEU . 93.3 t -147.52 107.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.29 160.73 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.95 137.58 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 86' ' ' PHE . 76.2 mt -84.45 136.15 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -139.76 124.57 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.36 -44.21 79.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.42 -128.5 6.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -59.89 131.98 89.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.72 33.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.3 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.92 15.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.26 -68.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.27 82.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.45 -154.73 26.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -55.0 117.57 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.03 86.0 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -74.13 81.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.98 128.08 33.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.5 m -105.28 -39.09 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -150.68 -161.32 9.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.462 ' HB2' HD22 ' A' ' 119' ' ' LEU . 2.0 tpt -144.87 153.22 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.512 ' HB2' HD21 ' A' ' 69' ' ' LEU . 41.6 t80 -133.36 107.58 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.528 HD23 HG13 ' A' ' 66' ' ' VAL . 6.6 mt -120.59 124.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.699 ' O ' HG23 ' A' ' 63' ' ' ILE . 47.5 mt-30 -101.57 154.31 18.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -169.76 163.4 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 97' ' ' VAL . 69.2 p -109.91 161.39 15.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' HB ' HG22 ' A' ' 94' ' ' THR . 88.1 t -125.18 131.15 24.01 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 107.13 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.32 -41.49 1.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 91' ' ' VAL . 4.7 t -87.69 166.79 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 111.123 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -111.08 118.7 36.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.28 -166.17 14.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.429 HG22 HG22 ' A' ' 90' ' ' THR . 90.0 t -126.41 142.66 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.386 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -107.3 147.11 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.87 153.68 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 58' ' ' ILE . 5.0 tp -126.66 139.1 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -120.53 127.96 52.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 86.5 mt -115.2 141.03 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.0 m -129.73 145.27 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.98 134.54 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.1 t -121.41 144.62 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -95.58 120.33 35.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.819 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -148.81 176.84 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.5 m -37.54 -38.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 110' ' ' VAL . 39.9 p -51.89 153.92 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.177 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 109' ' ' THR . 10.8 p -34.11 -40.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 110' ' ' VAL . . . 124.89 -148.76 16.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 13.8 ttt180 -48.7 -45.01 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 0.0 110.857 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 10.0 mpt_? -38.16 -47.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.79 -60.81 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -43.74 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 120' ' ' VAL . 89.8 t -44.0 -51.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.21 -38.81 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.59 ' CD1' HD23 ' A' ' 18' ' ' LEU . 35.6 t90 -76.93 -47.04 22.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.462 HD22 ' HB2' ' A' ' 85' ' ' MET . 72.3 mt -52.49 -48.56 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 116' ' ' VAL . 12.6 p -72.04 -27.49 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.67 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.473 ' CE ' HD11 ' A' ' 48' ' ' LEU . 7.4 tpt -56.27 -52.09 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -56.39 -34.32 66.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -72.41 -48.47 41.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -63.63 -55.42 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.13 -40.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 131' ' ' GLU . 86.0 mttt -54.9 -49.31 71.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.666 HD11 ' CZ ' ' A' ' 11' ' ' TYR . 42.5 mt -56.3 -43.82 79.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.44 -55.14 23.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -82.2 -62.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 127' ' ' LYS . 22.7 mt-10 -69.48 175.95 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.6 m -117.65 -50.14 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -131.54 138.4 48.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -123.64 131.39 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -72.22 83.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.8 p -102.4 123.76 46.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 77.62 83.57 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 94.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 m 52.57 46.4 26.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.9 t -62.97 -60.4 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -72.56 82.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -54.96 148.48 13.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.12 61.88 3.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -84.61 173.52 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -83.51 145.79 28.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.08 146.09 12.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.71 94.13 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -79.13 -49.07 13.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.98 -39.81 59.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.91 -37.75 76.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 15' ' ' LEU . 66.4 m-20 -52.96 -49.09 66.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.86 -26.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 17' ' ' VAL . 90.3 mm-40 -85.68 -37.49 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -42.57 -40.35 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 4.5 ptpp? -70.43 -31.4 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.581 HG11 ' HB1' ' A' ' 117' ' ' ALA . 55.2 t -77.61 -39.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 41' ' ' LEU . 16.8 mt -62.77 -49.43 75.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' SER . 43.9 mt -61.61 -46.53 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' LEU . 1.8 m -36.59 -48.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.23 132.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -135.34 146.47 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.504 ' CG2' HG23 ' A' ' 36' ' ' THR . 18.7 m -72.19 142.29 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 95.8 m-85 -148.42 160.83 42.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' HG22 ' A' ' 105' ' ' VAL . 12.0 mt -93.56 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG1' HD11 ' A' ' 100' ' ' LEU . 97.3 t -103.33 129.04 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 31' ' ' SER . 14.7 m -100.5 97.66 8.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLY . 14.6 m-85 -75.25 155.86 36.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.37 -116.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -125.6 39.59 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 27' ' ' THR . 38.9 t -79.77 102.18 8.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -37.96 -37.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 16.5 ttmt -105.88 130.62 22.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.569 ' HG2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.74 -173.86 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -136.6 139.52 42.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.504 HG23 ' CG2' ' A' ' 23' ' ' THR . 23.3 m -64.15 107.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 30.7 mtp -130.95 161.27 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.4 m -107.56 131.28 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.98 112.6 20.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -147.11 165.79 28.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 18' ' ' LEU . 9.5 mt -103.08 137.37 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -62.22 165.85 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -47.15 -39.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -70.76 -25.48 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 62.21 42.42 9.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -124.13 -19.45 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.09 148.59 49.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.736 HD11 ' SD ' ' A' ' 122' ' ' MET . 28.4 mt -99.39 142.23 31.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -125.18 156.69 38.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 56' ' ' TYR . 28.6 mt -126.34 154.21 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.02 109.4 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.98 -125.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.52 -42.23 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -156.25 177.71 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -70.81 103.89 2.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HB3' HD12 ' A' ' 50' ' ' LEU . 12.1 m-85 -122.98 157.94 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -156.98 138.84 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.492 ' CG2' HD11 ' A' ' 63' ' ' ILE . 72.1 mt -105.06 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HB3' HG22 ' A' ' 61' ' ' VAL . 10.2 mt-10 -64.54 101.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' VAL . 58.4 mt -43.38 -51.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.434 HG22 ' HB3' ' A' ' 59' ' ' GLU . 7.0 m -36.34 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.1 m-70 -75.62 -54.76 6.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.492 HD11 ' CG2' ' A' ' 58' ' ' ILE . 50.4 mt -33.99 121.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.3 p -101.14 -56.01 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.793 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -103.94 141.46 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.649 HG13 ' CD2' ' A' ' 87' ' ' LEU . 74.5 t -144.82 105.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -133.4 160.68 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -106.37 140.92 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.26 122.46 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 p -106.2 146.74 29.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -69.08 69.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.25 134.53 3.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -48.74 105.87 0.55 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.26 17.32 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.1 4.73 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.41 -71.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.51 117.42 2.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.449 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' ASN . . . -172.02 117.38 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 78' ' ' GLY . 1.2 t30 -37.82 107.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.91 148.91 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -95.03 118.92 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.72 113.58 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.5 t -92.07 -38.95 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.44 179.52 16.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.54 ' HB2' HD22 ' A' ' 119' ' ' LEU . 1.0 OUTLIER -148.0 154.81 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 85' ' ' MET . 8.5 t80 -139.99 128.47 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.649 ' CD2' HG13 ' A' ' 66' ' ' VAL . 28.6 mt -135.26 165.53 25.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.36 135.54 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -159.55 156.34 27.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.0 p -99.17 142.46 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 92' ' ' PRO . 87.4 t -110.16 138.86 20.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.597 0.713 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.76 133.13 24.82 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.46 -43.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 14.8 t -82.07 168.91 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -116.48 125.89 52.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.42 -165.97 12.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.97 134.68 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 94.1 m -109.09 129.44 55.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -110.82 147.85 33.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.624 HD11 ' CG1' ' A' ' 26' ' ' VAL . 3.0 tp -116.8 159.41 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -138.13 145.41 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 26' ' ' VAL . 7.1 mt -131.5 135.6 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.1 m -138.51 148.21 44.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.38 130.82 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.67 HG22 ' HG ' ' A' ' 25' ' ' LEU . 42.3 t -93.16 138.42 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.57 38.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.2 170.73 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.5 m -50.09 166.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.583 ' O ' HG22 ' A' ' 109' ' ' THR . 16.6 m 62.24 30.51 17.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 109' ' ' THR . 29.8 m -33.8 131.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -151.71 59.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -46.05 -55.15 7.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -47.83 -42.77 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 41.7 tp60 -63.76 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.56 -63.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.53 -44.04 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.581 ' HB1' HG11 ' A' ' 17' ' ' VAL . . . -49.69 -50.35 44.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -64.21 -48.34 76.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 85' ' ' MET . 97.3 mt -50.29 -46.24 55.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 117' ' ' ALA . 9.4 p -74.21 -36.04 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.72 -54.79 42.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.736 ' SD ' HD11 ' A' ' 48' ' ' LEU . 7.6 tpt -49.21 -60.33 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -46.37 -48.75 18.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -53.21 -47.45 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.81 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.1 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -53.22 -49.96 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.6 -42.79 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.06 -60.21 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.54 176.06 6.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -139.48 158.6 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 133' ' ' ARG . 5.2 mmm180 -123.02 120.76 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.04 85.37 2.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -111.58 166.94 10.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.4 m -130.39 153.78 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 91.53 155.35 31.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 164.0 36.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.1 t -130.25 120.24 24.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 39.0 t -112.39 92.25 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -77.96 136.62 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -158.76 147.36 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.23 52.79 4.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 m -66.34 99.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.0 p -82.2 148.93 28.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.65 -137.84 9.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . 59.71 40.38 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.711 0.291 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -35.19 -58.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -42.41 -55.51 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.837 ' CE2' HD21 ' A' ' 15' ' ' LEU . 2.5 t80 -59.97 -52.5 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.2 m-20 -37.93 -27.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' TYR . 17.8 mmmt -63.02 -59.59 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.442 ' CD ' ' HA ' ' A' ' 11' ' ' TYR . 4.8 pm0 -69.17 -17.77 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.837 HD21 ' CE2' ' A' ' 11' ' ' TYR . 17.8 mt -67.29 -71.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -47.2 -38.76 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.63 -43.98 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.746 ' HB3' HD12 ' A' ' 41' ' ' LEU . 36.1 mt -66.54 -60.94 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -39.06 -54.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -44.01 -52.93 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.92 154.81 31.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -137.9 139.68 39.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.077 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.523 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 5.2 m -69.32 130.7 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 23.8 m-85 -141.17 172.8 12.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.918 HD22 ' HB2' ' A' ' 34' ' ' PRO . 11.9 mt -105.16 116.94 32.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.05 132.78 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -118.91 135.73 54.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.101 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -113.44 160.12 18.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.21 -11.5 52.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -97.07 -36.25 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.6 p -96.79 119.56 35.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -7.67 57.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.7 138.26 25.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.563 0.696 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.918 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.77 145.36 56.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' C ' HD23 ' A' ' 25' ' ' LEU . 4.3 tp10 -120.12 140.66 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 m -70.87 109.63 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.6 mtp -128.79 153.97 46.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 m -93.09 147.55 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -135.39 126.76 28.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -155.94 166.5 33.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.4 mt -103.62 150.59 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -66.9 169.76 7.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -47.77 -40.36 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -92.08 -13.74 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 66.67 39.96 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -104.24 -19.32 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -135.79 155.26 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -106.09 140.07 39.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.465 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.7 m-85 -118.94 144.94 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.562 HD11 HD12 ' A' ' 58' ' ' ILE . 38.0 mt -131.34 120.0 22.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -111.4 138.4 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.63 -133.7 3.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.15 -47.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -146.15 158.08 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.526 ' CG ' ' O ' ' A' ' 55' ' ' HIS . 13.5 p80 -73.33 115.02 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -124.41 150.34 45.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -146.17 112.98 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 50' ' ' LEU . 33.9 mt -107.54 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.31 132.65 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.516 HG22 ' O ' ' A' ' 60' ' ' ILE . 73.6 mt -64.49 -8.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -77.94 -27.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.3 -25.31 19.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 88' ' ' GLN . 23.9 mt -61.65 135.69 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t -111.39 -53.96 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.3 m -109.38 141.48 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 87' ' ' LEU . 70.3 t -143.23 106.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.98 156.83 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.7 mt -104.05 137.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.56 111.02 19.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 p -123.78 108.54 12.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 5.5 tm-20 -47.87 150.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.441 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 128.81 77.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.494 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.1 m-85 -47.23 -60.19 4.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.707 0.765 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.8 167.92 23.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 160.33 50.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.53 -127.94 2.55 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.73 -42.85 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.16 -43.59 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -82.14 111.79 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -167.51 117.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' N ' ' HD3' ' A' ' 81' ' ' ARG . 1.4 mpp_? -120.29 126.29 50.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.03 116.1 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.9 p -99.67 -24.93 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.03 169.96 42.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpp -122.75 147.2 46.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -124.61 121.46 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 66' ' ' VAL . 4.0 mt -130.68 140.78 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 63' ' ' ILE . 9.5 mt-30 -116.95 139.54 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 58' ' ' ILE . 11.1 p90 -158.35 146.16 18.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.859 HG22 HG22 ' A' ' 97' ' ' VAL . 40.8 p -95.49 137.27 34.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 92' ' ' PRO . 68.7 t -85.99 134.35 39.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.76 104.73 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.84 21.15 8.8 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -142.91 145.89 33.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.53 123.81 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.02 15.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.859 HG22 HG22 ' A' ' 90' ' ' THR . 87.9 t -104.53 140.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 99' ' ' GLN . 86.5 m -105.37 153.55 21.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.41 ' N ' HG22 ' A' ' 98' ' ' THR . 1.3 mp0 -119.9 164.22 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -136.62 136.4 39.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -123.72 134.0 53.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.7 mt -123.09 152.01 41.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.5 m -141.61 147.49 37.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.433 HG11 ' HD3' ' A' ' 112' ' ' ARG . 61.7 t -72.8 124.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -116.92 9.3 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -119.78 89.72 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -112.33 70.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' THR . 16.4 m -125.86 -175.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' VAL . 17.9 p -37.79 -56.11 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 110' ' ' VAL . 68.9 t -126.65 66.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -122.35 -60.73 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.433 ' HD3' HG11 ' A' ' 104' ' ' VAL . 12.0 tpp180 -42.89 -49.25 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -49.4 -56.4 9.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 37.3 tp60 -51.96 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -44.19 -68.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.5 t -43.0 -50.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 114' ' ' GLN . . . -45.9 -48.94 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 30.6 t90 -66.14 -46.26 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.02 -55.27 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 121' ' ' ALA . 6.0 p -67.55 -43.79 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -57.03 -27.94 62.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 9.0 tpt -68.73 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -57.85 -47.56 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -55.13 -51.33 66.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HB1' ' OH ' ' A' ' 11' ' ' TYR . . . -73.17 -21.78 60.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.594 ' O ' ' CE1' ' A' ' 130' ' ' TYR . . . -72.12 -22.46 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -70.94 -57.55 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.558 HD12 ' CE1' ' A' ' 11' ' ' TYR . 13.6 mt -37.81 -33.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -57.15 -61.63 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 11.4 p90 -97.5 -54.2 3.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -42.28 -23.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 130' ' ' TYR . 1.3 t -48.36 159.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.45 145.43 30.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -66.53 139.13 57.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -76.04 -50.33 15.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 46.9 t -55.54 -37.56 68.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -106.6 84.4 0.39 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.71 4.23 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.1 t -81.93 116.65 21.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.4 m -100.63 118.81 37.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.473 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -119.71 98.01 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -79.95 129.38 34.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 111.18 -47.48 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.8 t -36.04 113.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.914 0.387 . . . . 0.0 110.841 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -78.21 131.35 37.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.817 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.56 68.6 1.08 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.57 92.2 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.727 0.299 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' PHE . 10.8 mp0 -132.03 -41.01 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' GLU . 33.8 t80 -37.17 -47.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' GLN . 64.4 t80 -94.92 -53.44 3.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -40.5 -50.5 2.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.786 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 mmmt -59.19 -32.57 70.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . 35.4 mt-30 -77.35 -56.01 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -54.95 -43.68 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.77 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.7 ptmm? -59.55 -37.15 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 13' ' ' LYS . 58.4 t -67.86 -43.37 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.729 HD13 ' CD1' ' A' ' 41' ' ' LEU . 49.3 mt -57.94 -41.89 83.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -66.86 -51.05 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -40.45 -45.58 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 126.6 3.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.683 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . . . -121.09 165.37 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 24' ' ' PHE . 47.7 m -95.51 146.88 24.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CE1' ' HB3' ' A' ' 22' ' ' ALA . 37.5 m-85 -157.58 150.1 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.855 HD22 ' HB2' ' A' ' 34' ' ' PRO . 10.8 mt -84.43 104.07 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -92.41 108.34 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -93.43 123.06 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' GLU . 26.3 m-85 -89.97 142.5 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.22 81.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -72.73 -41.95 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.6 m -94.42 -7.27 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' PHE . 13.2 mt-10 38.82 24.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.2 ttmt -128.52 137.01 30.0 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.602 0.715 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PRO . . . . . 0.855 ' HB2' HD22 ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.75 159.45 53.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -149.2 143.95 26.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -78.67 104.58 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.1 mtp -130.49 168.76 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.5 m -115.46 130.77 56.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -115.8 114.07 24.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -135.54 165.26 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' CD1' HD13 ' A' ' 18' ' ' LEU . 8.5 mt -102.88 146.07 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -60.11 178.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -52.53 -44.29 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -103.62 22.32 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' HB3' HD13 ' A' ' 41' ' ' LEU . 10.8 mp0 41.47 45.38 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -107.97 -25.88 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -132.09 144.14 50.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.8 mt -102.22 157.29 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -148.13 156.12 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -129.37 159.76 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.74 124.15 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 171.15 -134.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' GLY . 18.2 p-10 -37.69 -46.02 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -153.06 177.78 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 13.0 p-80 -77.95 119.76 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -130.16 152.5 49.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -154.79 132.39 11.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.6 mt -112.27 99.98 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.648 ' HB3' HG22 ' A' ' 61' ' ' VAL . 4.4 mt-10 -63.62 112.84 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 63' ' ' ILE . 80.1 mt -48.06 -40.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 59' ' ' GLU . 34.0 m -50.02 -30.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -82.88 -47.45 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.655 HG23 ' O ' ' A' ' 88' ' ' GLN . 78.7 mt -42.14 134.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -111.4 -36.16 5.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -121.73 143.86 49.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.543 HG13 ' CD2' ' A' ' 87' ' ' LEU . 89.9 t -146.87 105.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -135.89 156.92 48.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 123' ' ' HIS . 67.5 mt -102.96 143.63 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD11 ' HG3' ' A' ' 101' ' ' LYS . 93.7 mt -89.93 109.84 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 82' ' ' ALA . 82.6 p -121.19 127.82 51.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -121.65 121.75 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' HD3' ' A' ' 74' ' ' PRO . . . 94.46 -67.24 1.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 83.9 t80 -102.51 96.68 7.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 73' ' ' PHE . 53.7 Cg_endo -69.78 161.27 46.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.335 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.98 -95.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.64 139.25 15.03 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ASN . . . 70.22 -174.34 37.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' GLY . 77.2 m-20 -38.04 149.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.52 130.34 53.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -86.27 87.4 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' ' 70' ' ' THR . . . -92.79 121.87 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.6 p -103.28 38.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.62 176.68 21.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.771 ' HB3' HD12 ' A' ' 102' ' ' LEU . 2.1 tpt -141.06 152.26 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -135.28 112.82 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' CD2' HG13 ' A' ' 66' ' ' VAL . 14.1 mt -124.87 149.65 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.655 ' O ' HG23 ' A' ' 63' ' ' ILE . 30.0 mt-30 -123.83 154.82 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 17.1 p90 -169.54 154.25 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.543 HG22 HG22 ' A' ' 97' ' ' VAL . 27.0 p -111.52 142.1 44.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.25 130.3 23.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.52 -41.41 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -88.33 152.13 22.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.151 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -94.31 128.17 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.2 179.62 24.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 90' ' ' THR . 77.4 t -113.9 146.19 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 90.6 m -108.26 130.11 55.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -104.47 171.67 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.2 tp -144.21 120.19 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.501 ' HG3' HD11 ' A' ' 69' ' ' LEU . 7.5 ttpt -114.28 124.1 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' A' ' 85' ' ' MET . 47.6 mt -108.21 146.75 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.7 m -142.64 150.45 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.739 HG11 ' HG2' ' A' ' 112' ' ' ARG . 89.3 t -73.74 140.62 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.21 141.26 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.17 98.24 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -122.46 176.68 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 109' ' ' THR . 7.8 p -84.73 -40.67 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 110' ' ' VAL . 23.4 p -121.61 178.03 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 109' ' ' THR . 32.9 m 33.93 42.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -61.29 -125.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.739 ' HG2' HG11 ' A' ' 104' ' ' VAL . 7.9 mtt85 -66.99 -48.23 69.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -38.16 -44.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -77.98 -45.66 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.79 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.856 ' HA ' HD12 ' A' ' 119' ' ' LEU . 91.0 t -48.15 -47.52 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.02 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 17.5 t90 -67.45 -45.67 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 116' ' ' VAL . 27.2 mt -49.46 -59.92 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.4 p -62.07 -43.53 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -51.41 -44.43 62.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.3 tpt -58.9 -60.99 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 3.5 t-80 -52.1 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -39.13 -61.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.44 -46.47 83.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -50.01 -56.85 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 mt -51.26 -53.23 37.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -40.22 -61.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.06 -63.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -50.82 170.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.4 p -38.26 155.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -138.22 117.19 12.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -40.44 123.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -124.68 165.51 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.0 m -131.28 -55.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.28 143.34 26.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 144.35 53.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.745 2.296 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 p -115.61 131.8 56.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.3 t -127.16 162.25 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -88.14 172.99 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 t -41.81 141.46 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.42 134.64 3.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 m -74.03 178.03 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -132.69 -55.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.04 -107.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.66 48.05 9.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -45.2 -49.83 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -47.23 -43.41 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' ASP . 59.5 m-85 -68.74 -53.82 19.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' TYR . 77.0 m-20 -36.36 -36.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -72.85 -50.0 26.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -53.6 -22.37 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -46.2 -71.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -39.85 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.434 HG13 ' OE1' ' A' ' 114' ' ' GLN . 62.6 t -59.71 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD22 HD12 ' A' ' 41' ' ' LEU . 95.0 mt -63.1 -58.81 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.4 mt -55.52 -52.84 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.0 p -42.01 -50.93 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.91 146.24 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -132.39 164.31 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 m -83.64 144.42 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.1 m-85 -148.93 150.83 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.7 mt -93.35 108.49 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.609 HG22 ' CD2' ' A' ' 102' ' ' LEU . 58.4 t -95.91 122.35 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -106.51 101.91 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -75.63 147.64 39.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.44 -48.86 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -74.21 -51.86 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 m -62.85 87.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.91 -30.22 33.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -103.21 135.24 19.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 142.59 48.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -114.25 155.49 26.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -81.23 111.44 17.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtp -125.68 176.5 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.3 m -127.13 131.22 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 t -122.95 119.4 30.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -142.22 164.03 31.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 47' ' ' TYR . 3.9 mt -104.69 132.73 50.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 6.0 t -59.34 177.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -52.87 -48.68 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -60.4 -19.63 56.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 52.37 42.04 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' HD12 ' A' ' 60' ' ' ILE . 23.1 mmt180 -124.7 -24.37 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.606 ' O ' HD23 ' A' ' 41' ' ' LEU . 72.8 m-85 -120.51 147.7 44.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -98.59 147.21 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 42' ' ' SER . 68.9 m-85 -136.82 144.01 43.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.758 HD11 HD11 ' A' ' 58' ' ' ILE . 14.7 mt -115.4 160.76 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -149.17 128.69 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 165.04 -133.6 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-20 -34.46 -43.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.4 m -152.82 171.92 17.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -76.49 110.39 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.744 ' HB3' HD12 ' A' ' 50' ' ' LEU . 9.2 m-85 -121.17 157.27 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 36.1 mt-10 -150.92 124.24 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.758 HD11 HD11 ' A' ' 50' ' ' LEU . 40.8 mt -106.85 100.04 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.13 109.04 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.74 HD12 ' O ' ' A' ' 46' ' ' ARG . 49.4 mt -48.74 -47.13 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.412 ' H ' HG13 ' A' ' 61' ' ' VAL . 3.2 m -48.42 -36.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.24 -38.62 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 60' ' ' ILE . 49.3 mt -51.6 122.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -95.63 -54.05 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -104.03 145.32 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' ' 87' ' ' LEU . 83.9 t -144.26 105.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -133.4 160.67 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.591 HD11 ' HB2' ' A' ' 123' ' ' HIS . 96.4 mt -107.16 134.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD13 ' HE2' ' A' ' 101' ' ' LYS . 94.8 mt -84.05 124.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 p -131.21 137.95 49.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.59 165.2 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.18 95.19 0.99 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 13.8 m-85 -58.35 -56.31 36.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.2 Cg_endo -69.83 129.98 18.47 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 172.22 13.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.71 -65.64 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.0 57.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.05 40.17 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 1.8 p30 -66.58 117.17 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.08 36.53 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -122.35 152.69 39.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.97 112.83 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.417 ' O ' HG23 ' A' ' 83' ' ' THR . 12.3 t -123.54 43.36 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 177.84 176.61 45.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.534 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.456 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.6 ttm -162.6 133.99 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 34.1 t80 -121.78 114.35 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' A' ' 66' ' ' VAL . 15.5 mt -119.04 155.12 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -133.23 131.62 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.403 ' OH ' HD13 ' A' ' 100' ' ' LEU . 9.9 p90 -146.87 165.45 29.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -114.86 140.2 49.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.76 128.81 27.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.77 -32.99 4.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.4 t -96.56 169.39 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 111.117 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.98 117.45 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.91 -178.63 16.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.4 143.99 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.6 m -111.28 132.19 54.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.1 mt-30 -106.48 145.09 32.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 26' ' ' VAL . 13.2 tp -120.01 131.78 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.503 ' HE2' HD13 ' A' ' 69' ' ' LEU . 50.4 tttm -115.71 132.24 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.609 ' CD2' HG22 ' A' ' 26' ' ' VAL . 63.1 mt -121.88 145.31 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 m -144.01 133.59 23.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.435 HG11 ' HD3' ' A' ' 112' ' ' ARG . 96.7 t -71.62 133.68 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -108.44 154.56 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -111.02 131.61 54.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -156.63 169.48 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.8 m -45.49 -38.8 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.2 m -74.16 151.61 40.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 110' ' ' VAL . 11.9 p -84.92 124.59 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' ARG . . . -142.24 -39.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 116' ' ' VAL . 10.6 tpp180 -35.08 -50.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.84 -56.01 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.434 ' OE1' HG13 ' A' ' 17' ' ' VAL . 4.3 tp-100 -59.5 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.57 -66.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 112' ' ' ARG . 88.8 t -44.22 -47.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -69.9 -46.24 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 116' ' ' VAL . 33.2 mt -52.13 -49.71 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.5 p -70.48 -45.04 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.514 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -54.05 -47.73 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.7 tpt -58.17 -53.45 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.591 ' HB2' HD11 ' A' ' 68' ' ' ILE . 35.3 t-80 -49.47 -55.03 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.442 ' HD3' HG22 ' A' ' 120' ' ' VAL . 9.8 mptt -53.87 -44.28 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -64.87 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.31 -42.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -51.87 -55.81 17.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.37 -48.9 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 60' ' ' ILE . 12.7 mt -42.46 -59.67 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -78.78 -62.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -59.95 178.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.8 t -86.35 168.5 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.01 144.11 28.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.27 119.32 38.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -88.43 42.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.9 m -39.88 -55.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 117.44 144.16 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -25.1 29.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 28.9 p -139.68 175.71 9.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.6 t -82.66 135.14 35.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.482 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -111.41 132.15 54.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m 45.42 47.76 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.37 -142.46 3.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -141.24 144.45 34.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -100.22 130.71 46.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.21 79.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.67 84.58 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.5 -38.57 5.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.32 -38.48 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -80.77 -52.38 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -44.47 61.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.831 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 17' ' ' VAL . 47.6 mmtt -40.83 -32.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' LEU . 77.0 mt-30 -72.7 -51.9 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD22 ' OE1' ' A' ' 45' ' ' GLN . 48.2 mt -35.81 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -42.93 -43.73 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 13' ' ' LYS . 97.8 t -64.33 -46.65 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 125' ' ' ALA . 85.2 mt -52.41 -59.32 4.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.35 -46.48 55.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -37.34 -50.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.06 138.73 5.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.61 165.55 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.566 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 17.1 m -84.26 147.67 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 23' ' ' THR . 65.3 m-85 -160.05 171.84 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -110.11 114.6 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG13 HD11 ' A' ' 100' ' ' LEU . 99.3 t -99.09 117.95 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -101.27 101.48 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.43 143.98 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.75 -36.42 6.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -73.92 -53.28 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -73.47 117.92 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -81.0 -6.98 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -122.86 138.23 29.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.01 46.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -123.5 141.81 51.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -66.57 106.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.75 159.13 28.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.4 m -107.2 121.07 43.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 m -109.59 125.01 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -144.36 167.62 22.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.0 mt -103.03 144.57 31.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 174.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -45.79 -53.47 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -96.09 7.11 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.58 ' OE1' HD22 ' A' ' 15' ' ' LEU . 3.3 mt-30 62.98 43.63 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.647 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 90.3 mtt180 -99.56 -10.35 22.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 16.9 m-85 -154.81 159.01 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -116.6 140.41 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 56' ' ' TYR . 15.1 mt -124.38 141.11 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.92 131.81 54.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 158.08 -131.11 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' GLY . 69.6 m-20 -34.6 -47.79 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -158.05 175.76 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -73.0 88.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.725 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.8 m-85 -102.47 147.98 26.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -152.74 150.14 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.627 ' CD1' HD22 ' A' ' 100' ' ' LEU . 68.3 mt -127.93 100.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 61' ' ' VAL . 7.6 pt-20 -65.19 122.84 18.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.43 -36.15 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.432 HG22 ' HB2' ' A' ' 59' ' ' GLU . 20.4 m -48.01 -29.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 63' ' ' ILE . 18.6 m80 -89.14 -49.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 62' ' ' HIS . 52.5 mt -36.38 126.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.4 t -105.37 -53.52 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.5 m -105.35 137.42 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 87' ' ' LEU . 57.3 t -138.22 105.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.95 158.33 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -105.49 137.17 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 86' ' ' PHE . 77.7 mt -82.94 129.14 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.0 p -120.71 169.65 10.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.72 -44.54 81.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.69 -169.42 16.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 4.3 m-85 -51.7 -60.75 5.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.875 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.76 159.53 53.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.732 2.288 . . . . 0.0 112.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -33.27 16.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.81 175.67 19.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.12 43.7 1.89 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.39 -85.19 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -100.82 146.66 27.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.71 125.13 27.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -119.33 82.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.84 93.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.0 p -51.23 -46.46 62.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.19 -179.06 35.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.581 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.5 ttm -119.98 155.82 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' HB2' HD21 ' A' ' 69' ' ' LEU . 46.6 t80 -133.65 119.13 18.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' VAL . 8.7 mt -129.87 151.61 50.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.86 140.7 50.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -157.4 155.55 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.499 HG22 HG22 ' A' ' 97' ' ' VAL . 47.5 p -102.39 154.36 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -115.07 129.96 24.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 81.87 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.16 32.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -150.5 177.91 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -118.82 118.8 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.2 -176.71 22.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 90' ' ' THR . 81.5 t -113.88 137.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 87.7 m -101.93 136.92 40.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.429 ' CD ' ' C ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -112.37 168.72 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 58' ' ' ILE . 13.5 tp -134.62 134.21 40.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 69' ' ' LEU . 28.7 tttt -118.27 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 85' ' ' MET . 42.0 mt -123.87 153.66 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.5 m -142.28 146.17 34.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.742 HG12 ' H ' ' A' ' 106' ' ' GLU . 47.7 t -87.08 119.03 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.534 HG12 ' O ' ' A' ' 105' ' ' VAL . 10.4 t -90.56 13.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.742 ' H ' HG12 ' A' ' 104' ' ' VAL . 6.8 mm-40 -120.4 134.9 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.46 -29.28 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 m -64.43 -176.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.5 m -74.78 -51.78 13.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.5 t -42.65 -71.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 112' ' ' ARG . . . -54.77 -67.33 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.44 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 111' ' ' GLY . 17.2 tpp180 -34.71 -57.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -54.19 -46.49 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -62.68 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.438 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -46.13 -62.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.64 -44.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' ALA . . . -53.08 -42.04 65.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.51 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 32.0 t90 -78.75 -33.41 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.25 -46.83 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.5 p -79.28 -38.75 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' ALA . . . -59.52 -53.65 55.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.48 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.2 tmt? -45.64 -68.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' MET . 36.7 t-80 -37.25 -41.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -53.54 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.98 -29.28 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -66.31 -50.5 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 130' ' ' TYR . 16.1 mttp -33.14 -56.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -41.56 -45.96 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 126' ' ' ALA . 13.1 mt -39.62 -57.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -94.91 -54.79 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' A' ' 132' ' ' SER . 17.6 mm-40 -41.18 -24.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 131' ' ' GLU . 4.3 t -31.52 98.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 132' ' ' SER . 52.1 mmm-85 33.69 55.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -119.91 -46.29 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -61.61 145.66 51.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 95.1 p -125.41 100.65 6.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.09 -153.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -29.02 24.48 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.1 t -46.71 136.85 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.5 p -57.36 150.9 17.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -62.69 97.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -61.52 -45.47 94.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.49 101.36 2.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -172.75 162.95 5.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -134.1 92.39 2.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.12 84.86 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.55 34.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.738 0.304 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' PHE . 22.6 mt-10 -41.75 -28.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.574 ' CG ' ' N ' ' A' ' 11' ' ' TYR . 1.1 p90 -37.39 -49.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.704 ' CZ ' HD21 ' A' ' 15' ' ' LEU . 24.8 t80 -83.37 -56.48 3.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' TYR . 12.7 m-20 -36.96 -51.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.862 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.0 ttpm? -37.08 -44.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 17' ' ' VAL . 20.8 mp0 -66.07 -51.09 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD21 ' CZ ' ' A' ' 11' ' ' TYR . 76.5 mt -36.78 -57.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 6.1 pttm -62.51 -32.9 73.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 13' ' ' LYS . 58.5 t -68.89 -33.57 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 41' ' ' LEU . 24.2 mt -70.33 -65.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -41.06 -51.14 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 t -44.12 -40.91 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 143.28 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.07 167.41 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 108' ' ' VAL . 22.6 m -87.04 143.12 27.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -150.87 158.78 44.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 mt -100.18 107.18 18.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.563 HG11 HD11 ' A' ' 100' ' ' LEU . 25.9 t -93.03 127.65 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -116.24 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.72 148.95 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.25 -21.57 33.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.25 -34.13 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -100.38 131.39 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -85.51 -17.95 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -105.57 137.51 19.32 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -132.94 138.53 46.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -76.41 117.59 18.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.7 mtp -135.02 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 m -120.66 124.19 44.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -113.99 120.53 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.26 167.21 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 18' ' ' LEU . 10.0 mt -103.83 158.88 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 99.0 p -81.52 175.76 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -45.13 -54.29 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.83 -4.18 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 61.04 31.73 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 14.8 mtt-85 -96.24 3.03 53.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 46' ' ' ARG . 47.4 m-85 -157.69 148.72 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -104.39 146.29 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 42' ' ' SER . 10.3 m-85 -122.04 148.81 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' ' 56' ' ' TYR . 66.8 mt -126.83 153.39 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -139.97 129.49 24.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.28 -120.79 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.68 -43.35 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -149.45 173.71 13.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -70.71 105.49 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' HB3' HD12 ' A' ' 50' ' ' LEU . 22.2 m-85 -120.11 149.05 42.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.8 140.66 16.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.414 ' CD1' HD22 ' A' ' 100' ' ' LEU . 33.9 mt -121.45 100.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.768 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.7 pm0 -64.76 135.56 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.418 HG22 ' O ' ' A' ' 60' ' ' ILE . 82.2 mt -70.05 -16.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 59' ' ' GLU . 28.5 m -69.49 -21.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.446 ' HD2' HG23 ' A' ' 61' ' ' VAL . 5.2 m-70 -97.2 -40.15 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -47.8 132.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -111.05 -51.58 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 m -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.5 t -134.59 101.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.19 158.51 41.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 84' ' ' GLY . 80.1 mt -103.69 146.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 101' ' ' LYS . 85.0 mt -88.38 120.12 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.1 p -131.06 107.31 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -88.23 141.22 28.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.47 73.22 1.07 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -121.76 147.72 49.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.689 0.757 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 75' ' ' PRO . 53.9 Cg_endo -69.79 110.37 2.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 74' ' ' PRO . 53.8 Cg_endo -69.76 171.18 14.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.78 -57.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.02 -58.03 0.23 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.06 110.18 3.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -85.91 113.11 21.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.45 140.39 11.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -89.97 -60.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.08 115.64 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.8 p -102.26 34.31 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 142.21 -161.34 27.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.8 tpp -155.71 146.07 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 12.0 t80 -126.28 125.01 41.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mt -128.57 154.85 45.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -132.69 136.5 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -152.23 147.73 26.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.56 HG22 HG22 ' A' ' 97' ' ' VAL . 81.4 p -103.26 144.28 31.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.41 130.07 25.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 80.63 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.96 36.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 t -143.38 173.62 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -115.39 106.7 14.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.06 -175.49 18.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 90' ' ' THR . 69.8 t -115.92 143.44 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.2 m -104.28 136.3 44.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.6 pt20 -115.39 137.95 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.563 HD11 HG11 ' A' ' 26' ' ' VAL . 3.2 tp -115.68 122.09 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.593 ' HG3' HD11 ' A' ' 69' ' ' LEU . 1.9 ttmp? -100.12 135.36 41.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 26' ' ' VAL . 76.2 mt -123.82 131.77 53.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 m -128.18 148.03 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' A' ' 115' ' ' ALA . 61.7 t -78.3 144.51 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.94 161.91 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.36 -36.01 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -53.08 -55.23 25.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG21 HG21 ' A' ' 23' ' ' THR . 55.0 t -56.02 149.96 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' VAL . 21.7 m -37.06 -58.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.9 m -49.59 139.62 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -101.4 -153.36 25.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.546 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 116' ' ' VAL . 8.1 tpp180 -83.38 -43.16 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -52.67 -39.36 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -66.91 -60.94 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 104' ' ' VAL . . . -54.38 -57.79 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.879 ' HA ' HD12 ' A' ' 119' ' ' LEU . 99.4 t -47.98 -43.11 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.36 94.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.43 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 64.4 t90 -65.76 -46.87 77.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 116' ' ' VAL . 17.9 mt -48.16 -62.81 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 121' ' ' ALA . 6.8 p -61.54 -39.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -56.16 -41.01 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.0 tpt -61.56 -55.99 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 15.2 t-80 -58.55 -54.99 40.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -43.25 -58.5 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.05 99.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -43.7 -35.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.46 -49.78 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -52.52 -47.48 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 129' ' ' LEU . 13.0 mt -46.66 -59.58 2.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -72.31 -62.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -54.64 157.24 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 98.2 p -109.51 164.24 12.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.49 126.31 51.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.3 -43.67 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -48.88 -68.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.5 p -55.03 -22.42 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 102.94 -155.5 18.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 177.48 5.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.363 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.6 m -117.26 -48.65 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.5 m -84.56 167.36 16.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.457 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.729 0.299 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' VAL . 29.8 mm-40 -89.43 -36.7 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.518 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -40.29 -40.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 25.3 pttt -70.79 -38.55 73.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 49.4 t -68.87 -37.72 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.954 ' HB3' HD12 ' A' ' 41' ' ' LEU . 31.3 mt -67.37 -54.29 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' SER . 58.3 mt -54.42 -50.89 66.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t -34.51 -46.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.86 122.18 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -114.12 153.1 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.15 139.43 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 70.9 m-85 -149.86 -179.49 7.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.752 HD22 ' HB2' ' A' ' 34' ' ' PRO . 33.9 mt -108.62 110.49 21.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 37' ' ' MET . 98.8 t -96.97 132.46 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.5 m -124.84 117.95 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -86.08 146.05 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.9 -39.36 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -76.5 -43.13 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.822 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -79.63 124.13 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -89.55 -18.05 27.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -101.16 138.6 20.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.752 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 139.6 40.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -120.2 137.01 54.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.5 m -68.11 112.28 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.441 ' HB2' HG23 ' A' ' 26' ' ' VAL . 14.2 mtp -128.41 171.8 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -117.31 130.01 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.0 m -116.73 125.79 52.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -146.39 167.96 22.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.954 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.4 mt -103.07 164.14 11.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 t -81.42 177.27 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -51.35 -44.13 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' GLN . 12.0 m-80 -103.37 29.11 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 34.42 39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -108.31 -1.9 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -153.07 146.99 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -102.32 139.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.702 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.9 m-30 -120.05 155.24 33.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.702 HD23 ' O ' ' A' ' 49' ' ' PHE . 24.2 mt -135.82 143.26 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.0 136.41 44.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.44 -132.7 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.32 -25.87 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -155.94 172.46 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -85.79 112.04 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.497 ' HB3' HD12 ' A' ' 50' ' ' LEU . 6.7 m-85 -124.74 147.69 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 26.7 mt-10 -149.17 126.14 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.521 ' CD1' HD22 ' A' ' 100' ' ' LEU . 56.9 mt -108.85 101.35 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.624 ' HB3' HG22 ' A' ' 61' ' ' VAL . 42.6 mt-10 -64.34 125.83 25.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.9 mt -65.23 -20.82 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 59' ' ' GLU . 14.7 m -69.52 -26.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -89.36 -36.57 15.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 60' ' ' ILE . 71.7 mt -49.73 132.52 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 t -101.58 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.3 m -107.82 149.83 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.635 HG13 HD23 ' A' ' 87' ' ' LEU . 43.1 t -150.86 105.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.07 159.06 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 84' ' ' GLY . 37.3 mt -101.83 134.63 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.37 113.04 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.921 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.871 0.367 . . . . 0.0 111.063 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.607 HG22 HH12 ' A' ' 112' ' ' ARG . 29.5 p -106.79 -26.51 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -133.58 -177.13 14.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.777 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -150.17 150.38 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.783 0.325 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -135.06 122.26 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.635 HD23 HG13 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -131.7 139.55 49.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 63' ' ' ILE . 47.1 mt-30 -117.4 140.41 49.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -163.33 156.59 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 97' ' ' VAL . 67.5 p -117.41 145.74 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.7 t -110.85 138.88 21.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.77 114.76 3.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.74 -45.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -80.93 -179.62 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.94 118.9 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.3 -158.72 14.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 90' ' ' THR . 87.6 t -125.63 145.44 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.1 m -114.25 129.38 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -112.17 148.56 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 58' ' ' ILE . 4.2 tp -125.59 132.15 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -111.82 140.57 46.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 mt -130.37 120.05 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 m -119.54 162.16 19.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.55 122.5 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.947 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.607 HH12 HG22 ' A' ' 83' ' ' THR . 15.6 mmt180 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -59.02 -54.61 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -67.54 -48.24 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.57 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.81 -31.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.76 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.549 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 21.4 t90 -67.11 -51.84 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 85' ' ' MET . 93.2 mt -46.44 -63.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.8 p -52.79 -47.22 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.554 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -52.7 -48.93 66.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -53.18 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -48.08 -51.73 23.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -44.1 -53.47 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.19 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.574 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -54.34 -19.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.46 -50.44 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.8 -29.34 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 129' ' ' LEU . 11.5 mt -59.13 -34.26 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mttt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.741 0.305 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -74.44 -19.62 60.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.56 -68.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -38.67 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.39 -49.74 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 85.9 mt -57.48 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -46.04 -52.19 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -39.6 -35.05 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.5 131.42 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -113.52 179.55 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 8.5 m -105.59 140.9 37.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 44.0 m-85 -150.54 163.84 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.731 HD22 ' HB2' ' A' ' 34' ' ' PRO . 32.9 mt -94.7 115.28 27.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 100' ' ' LEU . 62.1 t -101.25 126.82 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 m -118.39 108.11 14.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' SER . 80.2 m-85 -83.33 135.25 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.94 -37.62 0.1 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -71.41 -44.98 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' PHE . 9.6 m -87.47 121.84 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -84.69 -7.87 59.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -111.11 138.18 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.731 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.2 Cg_endo -69.81 144.48 53.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.258 . . . . 0.0 112.295 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -122.69 146.86 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -79.9 108.67 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mtp -130.07 162.44 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -107.91 145.68 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.2 t -131.76 138.34 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -155.63 166.35 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 48' ' ' LEU . 5.2 mt -104.81 161.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -74.37 173.97 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -54.73 -35.56 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -105.99 12.14 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 47.89 52.56 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 9.3 mmt85 -118.48 -2.48 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' O ' ' A' ' 46' ' ' ARG . 76.7 m-85 -156.2 147.54 22.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.581 HD11 ' CE ' ' A' ' 122' ' ' MET . 59.2 mt -110.03 143.67 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.15 151.05 51.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.93 158.05 25.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.91 139.84 45.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 147.97 -139.07 7.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' GLY . 2.2 m-20 -35.51 -37.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -153.27 172.08 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -97.46 90.74 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -98.85 159.83 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -144.36 123.19 12.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.23 100.53 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.659 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.3 pm0 -72.24 125.14 26.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.92 -31.1 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 59' ' ' GLU . 4.2 m -55.42 -27.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.59 ' HD2' HG23 ' A' ' 61' ' ' VAL . 7.6 m-70 -90.8 -46.59 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mt -38.72 136.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -112.99 -56.64 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.4 m -106.17 140.76 38.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 87' ' ' LEU . 25.7 t -142.37 105.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -135.65 145.51 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 123' ' ' HIS . 56.1 mt -86.28 141.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 105.21 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.881 0.372 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.3 p -109.84 17.56 21.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.74 179.26 42.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.455 ' SD ' HD11 ' A' ' 87' ' ' LEU . 16.8 ttm -145.33 148.29 33.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' O ' HD23 ' A' ' 87' ' ' LEU . 3.7 t80 -126.87 130.32 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.471 HD22 HG22 ' A' ' 66' ' ' VAL . 10.8 mt -143.28 139.56 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -118.86 143.83 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -153.23 162.76 40.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -113.3 131.38 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.535 HG13 ' HD2' ' A' ' 92' ' ' PRO . 31.1 t -85.96 137.06 35.67 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.535 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.77 84.89 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.22 11.82 2.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 3.0 t -118.94 167.92 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -110.15 113.75 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.81 -164.52 12.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.47 141.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.9 m -101.46 132.01 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 10.9 pt20 -108.62 139.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.484 HD11 HG13 ' A' ' 26' ' ' VAL . 7.9 tp -118.73 143.16 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.26 131.97 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 26' ' ' VAL . 43.8 mt -124.67 141.44 52.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 104' ' ' VAL . 55.2 m -137.29 158.54 44.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.499 ' N ' HG22 ' A' ' 103' ' ' THR . 58.2 t -89.55 136.4 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.613 ' HD2' HG23 ' A' ' 116' ' ' VAL . 8.4 tpt180 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -56.94 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -45.49 -59.9 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.445 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -57.03 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.613 HG23 ' HD2' ' A' ' 112' ' ' ARG . 75.2 t -44.6 -33.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -43.71 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 52.3 t90 -62.65 -39.96 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.25 -51.96 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.65 -33.21 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.03 -30.04 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.581 ' CE ' HD11 ' A' ' 48' ' ' LEU . 6.6 tpt -76.66 -46.62 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' ILE . 4.2 t60 -64.26 -49.53 71.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.01 -36.23 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.05 -27.5 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.67 -46.15 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.09 -34.04 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -35.8 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.07 -47.05 78.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.789 0.328 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.5 -31.51 35.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -54.06 -58.92 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 8.4 pttm -64.32 -39.05 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 93.2 t -59.65 -41.29 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.2 mt -67.31 -58.98 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' SER . 26.2 mt -54.43 -47.61 72.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t -34.51 -48.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.37 124.16 2.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -120.61 157.16 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -87.89 146.62 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 71.7 m-85 -155.96 157.73 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.3 mt -84.51 116.51 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.5 t -102.24 122.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 m -102.91 120.17 40.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -97.36 129.93 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.68 -35.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.94 -46.47 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -92.4 133.88 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -76.75 -28.42 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -106.15 134.45 19.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 168.48 21.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -132.43 149.6 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -67.0 106.35 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mtp -131.43 147.23 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.3 m -97.32 132.46 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.16 126.98 54.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -141.09 167.17 22.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 60' ' ' ILE . 7.0 mt -103.0 167.76 9.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -85.19 175.86 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -46.33 -55.87 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -94.46 18.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 47.94 48.56 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -113.26 -8.09 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.78 147.12 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.1 mt -104.51 138.2 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -121.21 141.38 50.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 mt -123.3 138.45 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.43 144.17 46.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.58 -138.45 8.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.6 -37.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.803 0.335 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.75 158.82 37.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CD2' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -85.68 96.02 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -99.03 159.13 15.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -147.59 113.51 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.441 HD13 HD22 ' A' ' 100' ' ' LEU . 24.5 mt -99.98 99.96 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.603 ' HB3' HG22 ' A' ' 61' ' ' VAL . 36.2 mp0 -63.58 110.37 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.8 mt -49.53 -34.76 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.603 HG22 ' HB3' ' A' ' 59' ' ' GLU . 29.3 m -56.68 -29.81 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -82.81 -39.18 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 88' ' ' GLN . 63.8 mt -49.35 132.67 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -102.82 -59.67 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.1 m -103.97 138.51 40.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG13 HD23 ' A' ' 87' ' ' LEU . 83.9 t -134.98 101.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -129.26 160.43 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 84' ' ' GLY . 93.1 mt -110.37 137.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 17.9 mt -91.8 139.05 31.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.919 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.555 ' O ' HD12 ' A' ' 119' ' ' LEU . . . . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.864 0.364 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 t -98.95 -28.28 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -136.18 -158.21 8.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.2 ttm -166.47 150.56 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -135.79 104.99 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.6 HD12 HD23 ' A' ' 100' ' ' LEU . 7.6 mt -108.73 150.46 27.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 63' ' ' ILE . 34.6 mt-30 -127.77 132.23 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -152.24 159.94 43.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.498 HG22 HG22 ' A' ' 97' ' ' VAL . 40.9 p -104.82 148.8 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.692 HG13 ' HD2' ' A' ' 92' ' ' PRO . 97.8 t -108.4 139.14 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.692 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.74 116.82 4.73 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.92 -47.56 1.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.8 m -68.2 136.62 53.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -87.22 120.94 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 173.0 17.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 90' ' ' THR . 85.8 t -109.08 138.9 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.3 m -104.42 140.98 37.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -112.85 158.86 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 87' ' ' LEU . 16.2 tp -128.27 114.29 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 38.1 tttt -104.64 114.84 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.69 136.89 44.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.8 m -144.03 126.45 15.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.556 HG11 ' HD3' ' A' ' 112' ' ' ARG . 92.7 t -70.74 132.84 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.5 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.556 ' HD3' HG11 ' A' ' 104' ' ' VAL . 5.1 mmt85 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -45.58 -46.36 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 114' ' ' GLN . 1.5 tm0? -61.91 -71.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -43.42 -59.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 112' ' ' ARG . 64.8 t -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 114' ' ' GLN . . . -62.36 -37.86 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.451 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 56.5 t90 -68.46 -53.33 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 82' ' ' ALA . 71.4 mt -44.48 -58.69 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 116' ' ' VAL . 5.0 p -60.25 -42.78 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -54.89 -59.63 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.442 ' N ' HD21 ' A' ' 18' ' ' LEU . 9.5 tpt -40.67 -54.71 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -60.19 -57.09 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -39.43 -58.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.05 80.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -47.86 -27.53 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 17.6 mtpt -66.23 -58.49 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.0 mt -42.25 -46.02 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 126' ' ' ALA . 3.4 mt -39.91 -59.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mttt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.751 0.31 . . . . 0.0 110.904 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.36 -37.99 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.13 -51.9 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -54.55 -37.4 65.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.77 -43.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.618 HD23 ' CD1' ' A' ' 118' ' ' TRP . 16.4 mt -62.99 -58.8 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -39.53 -59.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -40.32 -45.79 2.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.56 146.46 12.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.46 178.5 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -102.75 147.47 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 26.9 m-85 -156.09 171.0 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 34' ' ' PRO . 32.1 mt -107.47 118.5 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -102.34 136.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.0 m -123.76 111.78 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.77 143.94 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.48 -40.44 2.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -74.78 -40.8 60.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m -84.0 120.11 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -86.35 -13.73 45.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -109.83 136.1 20.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.54 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.9 Cg_endo -69.8 145.36 56.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -123.02 146.11 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.3 m -73.04 111.96 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mtp -134.19 147.83 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.6 m -93.06 140.69 29.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -125.71 124.24 40.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -144.77 166.79 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 18' ' ' LEU . 5.6 mt -103.25 167.85 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 p -80.6 178.01 8.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -52.54 -42.36 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -102.16 3.3 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.554 ' O ' HD11 ' A' ' 129' ' ' LEU . 33.9 mt-30 64.93 30.55 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -99.14 -2.42 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -146.01 161.88 39.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.4 mt -123.2 131.84 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -115.24 150.82 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 56' ' ' TYR . 8.2 mt -132.2 150.72 52.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -133.6 137.45 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.98 -131.34 2.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -38.53 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -151.67 178.75 9.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 15.7 p80 -83.27 115.61 22.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.569 ' HB3' HD12 ' A' ' 50' ' ' LEU . 11.1 m-85 -122.62 145.09 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -147.63 112.74 5.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.541 HD12 HD11 ' A' ' 50' ' ' LEU . 55.4 mt -107.98 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 61' ' ' VAL . 43.6 mt-10 -64.7 153.91 38.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 60' ' ' ILE . 47.3 mt -82.84 -15.2 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 59' ' ' GLU . 15.6 m -65.88 -47.22 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 61' ' ' VAL . 50.7 m-70 -64.65 -56.45 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 88' ' ' GLN . 2.2 mt -32.11 147.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.5 t -124.01 -38.61 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -126.18 142.24 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 87' ' ' LEU . 95.1 t -141.08 111.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.608 HD11 ' CB ' ' A' ' 123' ' ' HIS . 31.7 mt -95.72 139.3 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 86' ' ' PHE . 92.4 mt -89.78 120.87 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 82' ' ' ALA . 23.8 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.594 ' HA ' HG22 ' A' ' 70' ' ' THR . . . . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.905 0.383 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 p -122.37 30.92 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 153.92 -168.75 32.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.7 ' HB3' HD12 ' A' ' 102' ' ' LEU . 1.8 tpt -153.39 146.35 24.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.576 ' HB2' HD21 ' A' ' 69' ' ' LEU . 7.9 t80 -129.16 111.33 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' HG13 ' A' ' 66' ' ' VAL . 16.4 mt -118.71 141.72 48.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 63' ' ' ILE . 22.0 mt-30 -121.35 132.91 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.455 ' CE2' HD13 ' A' ' 58' ' ' ILE . 13.2 p90 -152.76 147.58 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.7 p -101.6 148.88 24.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 92' ' ' PRO . 89.7 t -110.31 136.76 20.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 121.48 8.18 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.371 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.22 -47.1 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -83.49 167.16 17.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 111.148 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -114.59 111.0 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.31 -172.06 22.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.35 137.22 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.7 m -104.37 147.36 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.53 145.44 50.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.418 HD13 ' OH ' ' A' ' 89' ' ' TYR . 5.9 tp -123.13 122.37 38.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -103.17 141.91 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 85' ' ' MET . 62.9 mt -127.35 141.22 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.6 m -142.56 144.06 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.743 HG11 ' HD3' ' A' ' 112' ' ' ARG . 74.5 t -67.76 131.18 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 68.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.743 ' HD3' HG11 ' A' ' 104' ' ' VAL . 12.0 tpp85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -36.99 -58.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.479 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -47.86 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.65 -53.88 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.604 ' HA ' HD12 ' A' ' 119' ' ' LEU . 82.6 t -51.97 -44.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.16 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.618 ' CD1' HD23 ' A' ' 18' ' ' LEU . 26.2 t90 -59.45 -33.9 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 116' ' ' VAL . 89.0 mt -63.26 -58.7 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.87 -46.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.87 -49.26 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.485 ' HB2' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -51.3 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.608 ' CB ' HD11 ' A' ' 68' ' ' ILE . 56.1 t-80 -48.35 -53.65 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.38 -60.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.21 83.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -49.52 -31.52 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.94 -38.46 88.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.47 -36.57 81.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 45' ' ' GLN . 12.4 mt -54.41 -49.24 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.8 mttt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.733 0.302 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' CD ' ' N ' ' A' ' 14' ' ' GLN . 1.7 mp0 -78.41 -39.61 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -67.0 -42.14 85.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' HD12 ' A' ' 15' ' ' LEU . 13.7 pttp -66.56 -34.84 78.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 t -76.92 -40.4 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.606 ' HB3' HD12 ' A' ' 41' ' ' LEU . 16.3 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' SER . 83.5 mt -62.21 -55.51 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' LEU . 3.3 t -37.13 -43.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.63 131.69 5.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -121.82 150.64 41.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 23.5 m -78.98 146.11 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.7 m-85 -158.88 155.54 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.787 HD22 ' HB2' ' A' ' 34' ' ' PRO . 33.7 mt -91.05 122.38 33.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.61 131.66 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 m -122.4 105.44 10.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 56' ' ' TYR . 96.9 m-85 -77.53 163.44 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.33 -29.61 63.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -84.68 -37.04 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 122.35 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.05 -29.18 23.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -93.62 138.47 22.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.787 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 140.48 42.81 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -120.42 139.75 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -69.47 107.19 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.31 165.36 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 m -112.01 136.1 51.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.6 t -121.84 123.24 41.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -140.89 164.99 28.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 18' ' ' LEU . 6.3 mt -103.67 166.11 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -76.64 177.93 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -45.9 -57.51 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -97.27 16.45 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 55.27 45.48 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -93.37 -13.91 27.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.547 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.5 m-85 -153.37 170.05 21.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -117.89 147.14 43.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.4 161.31 28.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 56' ' ' TYR . 16.6 mt -142.31 142.28 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -121.67 133.19 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.19 -137.11 4.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.3 -41.77 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -151.64 166.03 32.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -68.78 95.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.554 ' HB3' HD12 ' A' ' 50' ' ' LEU . 7.4 m-85 -99.38 145.99 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 37.2 mt-10 -147.09 129.66 15.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.518 ' CD1' HD11 ' A' ' 50' ' ' LEU . 58.0 mt -116.22 101.53 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 61' ' ' VAL . 2.2 mp0 -66.76 122.03 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.666 HG21 HD13 ' A' ' 129' ' ' LEU . 70.8 mt -59.08 -37.13 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 59' ' ' GLU . 27.5 m -56.56 -22.58 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -92.61 -39.19 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 88' ' ' GLN . 69.6 mt -44.07 124.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -98.47 -51.71 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.3 m -104.5 148.45 26.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.559 HG13 ' CD2' ' A' ' 87' ' ' LEU . 76.8 t -150.78 105.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -138.46 159.51 41.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.453 HD11 ' HB2' ' A' ' 123' ' ' HIS . 63.5 mt -100.96 145.93 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 86' ' ' PHE . 79.8 mt -104.09 134.13 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.3 p . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.873 0.368 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 83' ' ' THR . 72.2 m -121.74 40.0 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 164.45 173.22 32.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 102' ' ' LEU . 5.3 ttt -153.9 132.24 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 69' ' ' LEU . 8.8 t80 -118.89 116.76 27.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.559 ' CD2' HG13 ' A' ' 66' ' ' VAL . 11.3 mt -128.02 167.61 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 63' ' ' ILE . 57.6 mt-30 -144.14 146.27 32.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -149.64 152.59 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.642 HG22 HG22 ' A' ' 97' ' ' VAL . 42.4 p -103.17 130.5 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 93' ' ' GLY . 15.2 t -112.0 126.17 28.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.743 2.295 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.615 ' H ' HG12 ' A' ' 91' ' ' VAL . . . -109.96 7.55 31.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.5 t -138.19 178.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.3 109.04 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.77 -151.88 17.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.438 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 90' ' ' THR . 58.7 t -122.98 148.85 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.1 m -118.7 142.51 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.416 ' H ' ' CD ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -108.38 169.03 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 tp -139.63 130.15 25.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -112.26 119.28 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 85' ' ' MET . 32.7 mt -114.07 136.31 53.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.4 m -143.93 144.12 31.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.46 125.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 60.0 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.853 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.416 ' HB2' ' NH1' ' A' ' 112' ' ' ARG . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 114' ' ' GLN . 7.8 ptt-85 -51.93 -48.04 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 17.6 tp60 -59.22 -64.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.14 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.788 ' HA ' HD12 ' A' ' 119' ' ' LEU . 88.9 t -40.3 -41.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.07 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.51 ' O ' ' CE3' ' A' ' 118' ' ' TRP . 10.6 t90 -54.51 -32.89 58.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 116' ' ' VAL . 22.0 mt -66.09 -60.61 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.95 70.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.2 tpt -58.47 -47.72 83.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.453 ' HB2' HD11 ' A' ' 68' ' ' ILE . 25.6 t-80 -58.28 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -39.03 -63.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -59.81 -50.86 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.909 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -36.99 -46.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -53.31 -44.84 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ALA . 34.3 mt -55.21 -49.42 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' A' ' 126' ' ' ALA . 10.3 mt -40.0 -61.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 1.5 p90 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.728 0.299 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.1 -36.98 85.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 72.8 mt -51.63 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -41.96 -43.38 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.42 -53.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.623 ' HB3' HD12 ' A' ' 41' ' ' LEU . 34.6 mt -58.11 -57.65 11.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -50.91 -52.41 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -43.77 -43.54 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.39 137.69 5.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -129.04 138.41 51.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 m -70.32 138.61 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 99.5 m-85 -145.89 153.11 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 105' ' ' VAL . 17.8 mt -87.32 103.79 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.691 HG13 ' HG ' ' A' ' 100' ' ' LEU . 46.9 t -93.82 134.27 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 31' ' ' SER . 2.5 m -111.42 95.85 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -53.05 -178.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 122.39 6.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.36 36.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 27' ' ' THR . 13.2 t -121.87 90.97 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -58.46 -14.97 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -110.91 131.22 22.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.539 0.685 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.77 155.86 64.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -122.21 144.89 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -87.63 112.25 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.9 mtp -141.66 148.67 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 m -94.61 121.3 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.28 109.34 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -127.14 166.33 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.4 mt -103.57 152.5 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -69.55 175.34 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -50.48 -42.45 54.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -103.19 20.3 17.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 40.57 44.62 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -104.51 -18.26 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -144.28 152.58 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.25 155.3 20.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.67 148.43 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.601 HD11 HD11 ' A' ' 58' ' ' ILE . 62.7 mt -116.52 150.62 37.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -142.39 116.51 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.22 -124.34 1.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -44.55 -47.32 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -147.45 150.17 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -62.21 100.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.597 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.9 m-85 -116.83 163.51 16.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -156.55 132.48 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.601 HD11 HD11 ' A' ' 50' ' ' LEU . 18.3 mt -113.29 100.03 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.717 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.8 pm0 -73.03 127.2 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.0 -20.95 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 59' ' ' GLU . 34.1 m -59.05 -31.01 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.2 m-70 -89.25 -51.97 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 62' ' ' HIS . 16.0 mt -33.83 140.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 t -118.24 -60.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -104.37 136.08 44.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.659 HG13 HD23 ' A' ' 87' ' ' LEU . 91.1 t -141.0 106.2 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -134.57 157.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 70' ' ' THR . 82.7 mt -94.48 135.89 27.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.636 HD11 ' HD2' ' A' ' 101' ' ' LYS . 60.4 mt -78.81 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.545 HG23 HG22 ' A' ' 68' ' ' ILE . 71.5 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.832 0.349 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.1 t -104.72 24.2 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 166.01 169.61 29.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.744 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -144.69 155.7 43.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 8.5 t80 -132.92 133.38 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 66' ' ' VAL . 3.9 mt -140.11 120.16 13.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -105.35 141.07 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -152.44 142.02 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.795 HG22 HG22 ' A' ' 97' ' ' VAL . 62.1 p -94.19 136.2 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.514 HG13 ' HD2' ' A' ' 92' ' ' PRO . 79.3 t -107.18 135.25 19.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.7 Cg_endo -69.77 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.8 37.5 2.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 95' ' ' GLU . 93.3 m -155.77 157.01 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 111.086 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 94' ' ' THR . 5.6 pt-20 -102.16 110.38 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.44 -176.73 19.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.795 HG22 HG22 ' A' ' 90' ' ' THR . 72.0 t -104.94 143.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.1 m -107.35 142.12 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 10.0 mt-30 -112.9 157.22 21.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.691 ' HG ' HG13 ' A' ' 26' ' ' VAL . 1.5 tp -136.43 117.32 14.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.636 ' HD2' HD11 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.29 142.96 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.533 ' CD2' HG22 ' A' ' 26' ' ' VAL . 58.7 mt -130.85 139.57 50.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.9 m -142.92 140.76 31.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.439 HG11 ' CG ' ' A' ' 112' ' ' ARG . 89.0 t -69.47 133.03 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 27.1 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.439 ' CG ' HG11 ' A' ' 104' ' ' VAL . 2.9 ttm-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 112' ' ' ARG . 24.2 mtp180 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -44.85 -62.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 118' ' ' TRP . . . -57.56 -61.95 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.434 ' HA ' HD12 ' A' ' 119' ' ' LEU . 58.1 t -39.36 -43.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.45 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 39.8 t90 -63.69 -44.98 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 85' ' ' MET . 13.2 mt -61.0 -52.65 64.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 121' ' ' ALA . 8.1 p -62.06 -41.21 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.481 ' HB3' HD21 ' A' ' 18' ' ' LEU . . . -64.59 -40.46 95.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.529 ' O ' ' HB2' ' A' ' 126' ' ' ALA . 10.6 tpt -58.01 -46.09 85.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -61.64 -62.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -51.04 -55.0 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.05 -30.41 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 122' ' ' MET . . . -71.78 -34.93 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.8 mtmp? -56.9 -59.98 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.5 mt -41.61 -47.97 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.86 -61.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.2 mmmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.723 0.297 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.48 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.3 mp0 -58.58 -34.1 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -68.21 -62.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -53.34 -33.28 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 13' ' ' LYS . 62.2 t -75.99 -45.91 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 41' ' ' LEU . 13.6 mt -61.42 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 mt -41.5 -47.76 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -43.46 -50.63 6.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.06 137.9 8.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.51 -176.43 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -110.5 143.06 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 9.8 m-85 -147.95 178.63 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.47 HD11 HG22 ' A' ' 105' ' ' VAL . 62.9 mt -112.2 108.97 18.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.18 132.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -118.1 129.63 55.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.63 146.6 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.75 -35.15 3.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -82.55 -37.73 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -87.82 100.46 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -13.36 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -109.74 138.18 20.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.51 68.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' A' ' 53' ' ' ASP . 42.7 tt0 -129.88 143.24 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 m -67.57 108.22 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mtt -121.3 172.5 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.7 m -120.57 136.42 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . 57.6 m -125.83 130.5 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.4 ptt85 -155.29 167.86 28.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 18' ' ' LEU . 7.7 mt -102.95 169.78 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.5 p -92.84 178.12 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -48.1 -46.95 34.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 45' ' ' GLN . 4.4 m120 -99.47 24.78 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.486 ' CA ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER 31.29 39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ASN . 44.5 mtp180 -107.57 -2.99 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.458 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 54.9 m-85 -148.07 140.59 24.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.0 mt -105.16 143.57 33.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -129.85 154.94 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 58' ' ' ILE . 8.1 mt -129.84 160.09 34.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -143.66 132.43 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 156.56 -118.45 0.84 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLY . 8.7 m-20 -37.18 -45.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -167.49 168.4 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.57 105.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.471 ' HB3' HD12 ' A' ' 50' ' ' LEU . 6.7 m-85 -121.45 146.52 46.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -144.05 131.94 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.63 ' CD1' HD11 ' A' ' 50' ' ' LEU . 37.7 mt -125.82 111.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.31 140.93 31.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.19 -17.8 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 59' ' ' GLU . 12.2 m -73.92 -16.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -101.1 -31.53 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mt -56.76 122.08 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.8 m -88.8 -67.16 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 66' ' ' VAL . 38.4 m -106.98 156.69 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.929 HG13 ' CD2' ' A' ' 87' ' ' LEU . 48.6 t -148.23 106.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 12.0 pt20 -129.8 155.71 45.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.1 132.15 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.75 145.33 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.4 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.904 0.383 . . . . 0.0 111.082 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 83' ' ' THR . 19.6 m -118.91 17.96 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.73 -174.57 43.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.405 ' HB3' HD12 ' A' ' 102' ' ' LEU . 2.3 ttm -151.53 143.58 23.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 31.8 t80 -130.45 100.03 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.929 ' CD2' HG13 ' A' ' 66' ' ' VAL . 12.3 mt -103.48 151.51 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -126.96 128.32 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -140.69 145.31 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.0 p -97.76 141.96 30.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.61 127.21 27.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.34 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.7 -11.7 85.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -123.58 146.65 47.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -91.57 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.37 -178.01 16.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.16 147.5 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.0 m -123.16 135.67 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -108.17 154.62 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.84 123.91 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -104.73 135.3 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 85' ' ' MET . 51.8 mt -127.81 133.64 49.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -138.07 135.38 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.09 127.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.47 HG22 HD11 ' A' ' 25' ' ' LEU . 52.6 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 116' ' ' VAL . 11.6 mmt85 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtt-85 -63.65 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -77.58 -66.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.53 -59.14 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.784 ' HA ' HD12 ' A' ' 119' ' ' LEU . 86.2 t -46.62 -44.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.08 -54.36 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 25.7 t90 -52.0 -45.75 64.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 116' ' ' VAL . 44.2 mt -49.39 -71.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.18 -37.12 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.46 -27.3 47.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.6 tpt -72.87 -64.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -54.61 -41.99 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -63.74 -41.21 98.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.63 67.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.961 ' HB1' ' CE1' ' A' ' 130' ' ' TYR . . . -51.61 -33.29 32.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -53.77 -19.63 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.4 mt -83.64 -51.57 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -71.2 -22.19 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.961 ' CE1' ' HB1' ' A' ' 126' ' ' ALA . 3.3 m-30 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HE2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.73 0.3 . . . . 0.0 110.937 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -47.76 -26.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.97 -69.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.45 -36.99 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.534 HG13 HE22 ' A' ' 114' ' ' GLN . 71.2 t -60.11 -50.2 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.0 mt -63.06 -56.13 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 20' ' ' SER . 73.5 mt -53.9 -52.85 59.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 25.6 t -34.83 -47.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.59 131.74 3.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -120.73 163.07 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.067 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.529 ' CG2' HG23 ' A' ' 36' ' ' THR . 17.1 m -87.22 147.22 25.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 66.4 m-85 -157.22 151.0 24.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' HB2' ' A' ' 34' ' ' PRO . 18.2 mt -89.1 107.57 19.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 100' ' ' LEU . 88.3 t -95.22 120.74 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -105.67 96.17 6.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 91.3 m-85 -72.14 135.79 46.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.29 -37.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -83.96 -41.05 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' PHE . 21.5 m -75.63 81.87 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -47.64 -32.91 6.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -102.52 135.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.715 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.68 153.66 69.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.5 152.32 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.529 HG23 ' CG2' ' A' ' 23' ' ' THR . 56.1 m -74.8 106.0 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.464 ' HE2' ' C ' ' A' ' 51' ' ' ASP . 39.6 mtp -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.4 m -109.28 138.02 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.402 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 84.2 m -126.1 118.27 24.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -139.7 167.78 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 45' ' ' GLN . 6.3 mt -103.08 166.74 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -83.34 177.98 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -43.53 -60.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -96.35 23.42 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.471 ' HB3' HD22 ' A' ' 41' ' ' LEU . 68.6 mt-30 46.74 42.89 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -98.02 -25.81 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.64 155.29 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -113.01 142.02 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.967 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.81 149.57 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' A' ' 56' ' ' TYR . 9.1 mt -123.26 159.8 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' C ' ' HE2' ' A' ' 37' ' ' MET . 4.3 m-20 -140.32 116.88 10.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.89 -124.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -46.29 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -152.34 167.14 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -61.36 103.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.658 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.3 m-85 -112.96 150.04 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -157.09 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' HD22 ' A' ' 100' ' ' LEU . 56.9 mt -104.75 100.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.683 ' HB3' HG22 ' A' ' 61' ' ' VAL . 18.8 mp0 -65.74 114.39 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 63' ' ' ILE . 79.1 mt -48.07 -38.13 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 59' ' ' GLU . 19.3 m -50.69 -31.59 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -82.49 -41.59 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 60' ' ' ILE . 67.5 mt -49.26 128.39 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -101.33 -54.95 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.2 m -103.94 146.76 28.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.6 t -146.96 105.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -136.9 160.77 37.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.493 HD11 ' CB ' ' A' ' 123' ' ' HIS . 91.0 mt -102.35 137.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 96.1 mt -89.84 133.13 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 p . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.843 0.354 . . . . 0.0 111.077 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.3 p -92.55 -39.2 11.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -143.69 -171.25 13.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -141.94 146.88 36.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -128.46 121.27 28.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.76 138.67 47.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.64 135.65 53.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -154.1 154.81 34.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 97' ' ' VAL . 40.1 p -109.45 131.21 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.63 130.19 56.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.734 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 91.42 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.757 2.305 . . . . 0.0 112.35 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.02 17.88 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -140.4 175.09 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.1 144.38 41.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.63 -173.4 45.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.414 HG22 HG22 ' A' ' 90' ' ' THR . 46.7 t -122.2 141.11 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.4 m -107.62 129.13 55.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.1 140.33 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 26' ' ' VAL . 10.3 tp -106.06 150.74 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 45.8 tttm -132.95 123.11 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.479 ' CD2' HG22 ' A' ' 26' ' ' VAL . 34.8 mt -113.91 144.2 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.1 m -143.23 154.35 43.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.627 HG11 ' HG3' ' A' ' 112' ' ' ARG . 85.8 t -73.05 135.95 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.627 ' HG3' HG11 ' A' ' 104' ' ' VAL . 18.5 ttt180 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -38.21 -45.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.534 HE22 HG13 ' A' ' 17' ' ' VAL . 6.4 tp60 -53.93 -63.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.97 -59.21 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.545 ' HA ' HD12 ' A' ' 119' ' ' LEU . 38.6 t -44.9 -48.23 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.424 ' O ' ' CG1' ' A' ' 120' ' ' VAL . . . -53.06 -51.03 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.542 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 45.7 t90 -56.79 -42.94 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 116' ' ' VAL . 33.8 mt -59.86 -52.83 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.478 ' CG2' ' HE3' ' A' ' 124' ' ' LYS . 5.7 p -63.07 -40.65 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.36 88.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.3 tpt -61.86 -54.46 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.493 ' CB ' HD11 ' A' ' 68' ' ' ILE . 44.4 t-80 -59.36 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 120' ' ' VAL . 28.7 mttt -43.58 -59.4 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -55.58 -50.09 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -34.45 -48.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . 94.9 mttt -41.14 -53.52 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.2 mt -38.5 -53.15 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 126' ' ' ALA . 11.6 mt -40.07 -58.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.717 0.294 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 4.5 pp0? -88.89 -39.82 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.23 -43.45 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.602 ' N ' HD12 ' A' ' 15' ' ' LEU . 20.5 pttp -54.1 -33.04 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 117' ' ' ALA . 94.8 t -75.19 -40.33 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 21.4 mt -61.44 -59.34 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.58 HD21 HE21 ' A' ' 45' ' ' GLN . 96.9 mt -48.37 -60.47 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 5.6 t -34.47 -42.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.35 137.86 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -134.9 173.4 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -87.92 147.8 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 20.5 m-85 -155.35 156.25 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.441 ' HG ' ' CG2' ' A' ' 105' ' ' VAL . 35.9 mt -96.01 106.14 18.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.678 HG13 HD11 ' A' ' 100' ' ' LEU . 43.0 t -93.87 130.53 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.27 108.56 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' SER . 57.3 m-85 -77.9 139.5 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -36.07 -40.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.29 -41.8 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 m -73.09 119.43 17.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.51 -21.2 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -110.27 133.52 21.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 144.83 55.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -124.58 149.83 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -69.51 112.58 6.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB2' HG23 ' A' ' 26' ' ' VAL . 22.5 mtp -132.23 151.27 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 m -101.92 124.98 48.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.08 118.71 34.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.61 161.7 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 HD22 ' A' ' 18' ' ' LEU . 9.2 mt -103.95 132.36 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 4.7 t -63.12 173.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . 0.484 ' ND2' ' H ' ' A' ' 43' ' ' ASN . 2.2 m-80 -52.62 -40.04 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.76 -17.7 60.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.58 HE21 HD21 ' A' ' 19' ' ' LEU . 89.3 mt-30 54.76 39.97 31.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -121.43 -19.73 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -123.91 140.99 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 mt -101.39 133.04 46.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 42' ' ' SER . 12.8 m-85 -112.47 153.93 26.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 56' ' ' TYR . 19.0 mt -133.82 134.06 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -117.07 132.62 56.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 157.88 -133.12 3.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER -35.49 -45.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -152.69 -179.02 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -87.67 85.08 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.703 ' HB3' HD12 ' A' ' 50' ' ' LEU . 13.3 m-85 -95.08 145.68 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 41.0 mp0 -146.95 123.36 11.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.97 100.08 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.727 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.4 pm0 -67.35 127.73 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.9 mt -58.88 -30.77 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.727 HG22 ' HB2' ' A' ' 59' ' ' GLU . 27.2 m -52.06 -27.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -91.64 -45.38 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mt -43.2 128.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -107.69 -50.72 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.4 m -104.65 131.33 52.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.635 HG13 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -134.3 102.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 15.4 pt20 -131.32 159.29 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 84' ' ' GLY . 72.6 mt -104.9 137.17 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 85.4 mt -90.9 127.39 36.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 82' ' ' ALA . 61.1 p . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.738 ' HA ' HG22 ' A' ' 70' ' ' THR . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.891 0.377 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.6 p -83.94 33.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 157.38 -172.45 34.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.725 ' HB3' HD12 ' A' ' 102' ' ' LEU . 3.0 ttt -156.85 128.66 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 28.6 t80 -109.25 122.25 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.635 ' CD2' HG13 ' A' ' 66' ' ' VAL . 9.0 mt -128.1 168.54 15.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -145.84 131.94 19.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 19.4 p90 -140.72 167.07 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -121.5 133.48 55.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.663 ' HB ' HG22 ' A' ' 94' ' ' THR . 9.2 t -100.26 128.92 29.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.01 2.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.336 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . 0.524 ' H ' HG12 ' A' ' 91' ' ' VAL . . . -127.6 17.99 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.663 HG22 ' HB ' ' A' ' 91' ' ' VAL . 1.6 t -141.37 160.97 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.144 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -102.46 111.16 23.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.64 -165.09 12.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.68 152.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.415 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 56.9 m -122.33 136.64 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -111.79 148.38 33.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.678 HD11 HG13 ' A' ' 26' ' ' VAL . 11.2 tp -119.07 139.38 51.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 1.6 ttmp? -121.46 131.08 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 85' ' ' MET . 24.3 mt -122.06 148.02 45.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 104' ' ' VAL . 2.4 m -142.83 164.47 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.692 HG11 ' HG2' ' A' ' 112' ' ' ARG . 13.8 t -97.44 135.09 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.441 ' CG2' ' HG ' ' A' ' 25' ' ' LEU . 22.0 t . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.692 ' HG2' HG11 ' A' ' 104' ' ' VAL . 1.2 tmm_? . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.815 0.341 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -42.63 99.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -70.42 -55.21 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.01 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.49 -41.69 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' CB ' HG11 ' A' ' 17' ' ' VAL . . . -66.61 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 36.9 t90 -67.91 -44.59 76.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.671 HD22 ' HB2' ' A' ' 85' ' ' MET . 23.8 mt -60.03 -61.69 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.2 p -47.98 -45.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.485 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -65.68 -42.12 91.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -50.83 -51.24 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -65.83 -60.83 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -40.0 -47.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.42 -41.11 69.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.09 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.06 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.45 -32.36 42.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.2 -60.6 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.5 ptpt . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.783 0.325 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.579 HE22 HD23 ' A' ' 15' ' ' LEU . 1.5 pp0? -88.17 -45.12 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 HE22 ' A' ' 14' ' ' GLN . 23.7 mt -40.96 -53.79 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -56.39 -37.9 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.4 t -66.32 -45.54 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 41' ' ' LEU . 15.0 mt -62.26 -51.37 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.5 -60.28 3.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -42.92 -44.45 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.43 134.22 6.13 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.01 -178.69 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 m -107.71 148.8 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -156.94 168.53 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 34' ' ' PRO . 36.2 mt -106.62 103.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -92.64 134.38 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 m -118.16 120.72 38.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -90.22 141.09 29.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -38.52 -41.75 1.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -77.46 -48.8 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -76.2 99.42 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.28 -23.69 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -96.19 135.66 22.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.77 148.6 65.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -122.94 144.63 49.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.0 m -76.33 104.82 7.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 33.0 mtp -118.42 174.06 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.6 m -125.44 128.23 47.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.168 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.2 m -111.48 140.86 45.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -155.26 164.58 38.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.589 ' CD1' HD13 ' A' ' 18' ' ' LEU . 6.4 mt -106.11 162.31 13.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -72.79 172.8 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -49.91 -43.25 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -103.73 22.68 14.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 42.5 41.39 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -100.13 -17.93 17.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD1' ' OE1' ' A' ' 59' ' ' GLU . 92.8 m-85 -145.85 149.26 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -100.09 147.51 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.83 141.31 42.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' A' ' 56' ' ' TYR . 25.1 mt -106.76 159.59 16.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.05 118.74 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 176.11 -134.88 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' GLY . 1.9 p-10 -37.87 -41.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.65 162.26 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -72.4 126.59 30.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HB3' HD12 ' A' ' 50' ' ' LEU . 23.8 m-85 -149.81 154.74 38.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.2 pm0 -155.9 136.91 13.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.431 HD11 HD11 ' A' ' 50' ' ' LEU . 10.9 mt -120.7 108.45 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.491 ' OE1' ' CD1' ' A' ' 47' ' ' TYR . 9.7 mm-40 -67.13 133.49 49.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 60' ' ' ILE . 62.0 mt -64.31 -12.38 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.7 m -76.73 -33.84 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -80.93 -28.03 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.8 mt -63.53 134.73 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -112.39 -55.4 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -104.55 141.42 36.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.79 110.26 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -139.11 160.26 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.5 mt -105.58 138.73 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.36 124.19 36.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 82' ' ' ALA . 23.2 p . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 70' ' ' THR . . . . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.859 0.361 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.3 p -100.03 -27.3 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -157.05 -177.48 30.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.681 ' HB3' HD12 ' A' ' 102' ' ' LEU . 5.1 ttm -141.74 145.78 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 37.1 t80 -123.89 129.66 51.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -135.15 151.12 50.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -128.11 135.76 50.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.534 ' OH ' HD13 ' A' ' 100' ' ' LEU . 5.7 p90 -152.72 146.38 25.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.403 HG22 HG22 ' A' ' 97' ' ' VAL . 66.5 p -98.78 140.2 33.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.674 HG13 ' HD2' ' A' ' 92' ' ' PRO . 91.9 t -92.86 138.81 23.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.68 0.753 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.78 126.75 13.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 2.223 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 -30.16 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -90.67 137.51 32.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -91.29 113.88 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 166.11 11.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 90' ' ' THR . 39.3 t -108.57 137.72 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.8 m -110.19 136.18 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.493 ' C ' ' CD ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -105.04 158.84 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.534 HD13 ' OH ' ' A' ' 89' ' ' TYR . 3.3 tp -136.94 124.16 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -104.38 145.42 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' A' ' 85' ' ' MET . 57.8 mt -131.52 129.4 41.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -137.22 143.24 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.11 132.65 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 114' ' ' GLN . 12.0 mtm180 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -40.14 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' ARG . 30.0 tp60 -74.75 -64.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.01 -57.84 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.72 -38.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.5 -62.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.577 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 26.5 t90 -40.74 -30.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.84 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.04 -37.33 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 14' ' ' GLN . . . -65.82 -34.18 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.47 -54.07 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -63.8 -48.34 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -52.26 -41.44 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.3 40.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.08 -27.08 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.4 mtpm? -61.04 -56.23 23.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.98 -29.62 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.73 -40.72 79.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.5 mmtp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.746 0.307 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . 31.4 mt-30 -59.47 -18.53 40.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.85 -43.63 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.511 ' N ' HD12 ' A' ' 15' ' ' LEU . 10.7 ptpt -75.71 -39.73 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 84.2 t -68.45 -40.93 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.717 HD22 HD12 ' A' ' 41' ' ' LEU . 19.5 mt -61.83 -61.82 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -46.23 -50.86 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -40.62 -54.91 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.82 145.21 18.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -132.96 155.67 48.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -87.96 144.85 26.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 82.2 m-85 -153.66 175.6 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 34' ' ' PRO . 21.3 mt -104.44 112.48 25.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -102.54 135.13 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -124.72 108.65 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -84.86 169.56 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.53 92.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -78.12 -42.82 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -80.29 119.05 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.2 -30.72 34.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -102.62 139.05 19.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.74 143.33 50.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -121.0 146.97 46.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 m -69.59 106.92 3.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 mtt -121.39 176.74 5.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.0 m -126.4 127.88 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.1 m -118.11 117.46 29.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -140.97 163.39 33.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.717 HD12 HD22 ' A' ' 18' ' ' LEU . 7.7 mt -102.98 129.62 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.56 168.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -51.79 -34.52 40.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.93 -20.14 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 56.67 40.12 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -126.38 -2.43 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -146.5 145.48 30.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.03 144.96 29.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -133.3 146.26 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 56' ' ' TYR . 12.4 mt -118.66 155.54 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -149.56 133.41 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 159.12 -131.22 2.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' GLY . 28.5 t70 -35.48 -48.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -150.1 168.95 22.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 5.9 p80 -71.92 122.3 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.82 ' HB3' HD12 ' A' ' 50' ' ' LEU . 11.0 m-85 -138.88 150.58 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -149.87 126.45 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.66 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.731 ' HB3' HG22 ' A' ' 61' ' ' VAL . 40.1 mt-10 -66.32 113.03 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 59' ' ' GLU . 33.6 m -61.11 -28.78 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.619 ' HD2' HG23 ' A' ' 61' ' ' VAL . 8.0 m170 -85.19 -41.9 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -45.95 119.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -92.82 -59.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -104.01 146.38 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.487 HG13 HD23 ' A' ' 87' ' ' LEU . 66.6 t -142.03 105.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -135.85 146.44 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 84' ' ' GLY . 90.1 mt -102.67 136.03 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.4 mt -85.79 122.76 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 p . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.983 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.896 0.379 . . . . 0.0 111.096 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.8 m -94.23 -37.36 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.55 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -147.2 178.55 24.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.495 ' SD ' HD12 ' A' ' 102' ' ' LEU . 5.3 ttm -140.22 155.44 46.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 28.1 t80 -133.08 146.15 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.487 HD23 HG13 ' A' ' 66' ' ' VAL . 11.1 mt -151.2 140.77 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -122.63 128.85 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -145.01 175.05 10.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.1 p -120.28 143.31 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 92' ' ' PRO . 84.4 t -90.72 138.67 26.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.99 27.61 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 m -145.37 139.82 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.757 0.313 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.3 114.38 26.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 174.35 13.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.7 t -120.64 133.71 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.5 m -105.66 135.41 47.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -113.62 143.26 44.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD23 HD21 ' A' ' 102' ' ' LEU . 1.6 tp -113.18 158.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -137.98 135.71 36.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.495 HD12 ' SD ' ' A' ' 85' ' ' MET . 6.1 mt -127.44 131.98 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -143.66 150.9 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -76.79 122.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.905 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.8 0.333 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -50.07 -41.83 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -57.35 -62.02 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.33 -68.05 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' A' ' 119' ' ' LEU . 87.6 t -39.9 -40.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -51.51 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 16.7 t90 -62.63 -28.92 70.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 116' ' ' VAL . 67.3 mt -61.13 -60.64 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.42 -34.1 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.85 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.54 ' HG3' ' CH2' ' A' ' 118' ' ' TRP . 1.2 tmt? -43.68 -68.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -42.02 -62.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 128' ' ' LEU . 14.6 mttp -40.47 -39.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -77.92 -41.51 36.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.505 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -42.27 -29.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -81.66 -33.11 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.509 HD23 ' O ' ' A' ' 124' ' ' LYS . 3.6 mm? -55.9 -39.58 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.82 -56.9 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.3 mtpp . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -81.57 -41.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.952 HD12 ' N ' ' A' ' 16' ' ' LYS . 3.5 pp -66.22 -45.48 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.952 ' N ' HD12 ' A' ' 15' ' ' LEU . 15.5 pttp -60.64 -43.87 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 13' ' ' LYS . 76.3 t -64.91 -42.67 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 76.4 mt -63.5 -63.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -46.35 -48.15 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 t -42.07 -36.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.94 135.02 2.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.686 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -128.49 157.37 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -89.2 142.34 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.686 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.3 m-85 -154.28 161.86 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.874 HD22 ' HB2' ' A' ' 34' ' ' PRO . 13.7 mt -97.6 119.6 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 100' ' ' LEU . 65.8 t -104.66 122.1 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.32 116.32 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.02 135.42 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.63 -33.1 1.45 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . 0.416 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 32.3 t-20 -73.9 -46.83 42.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -89.02 131.07 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.05 -25.56 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -105.31 138.99 19.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.874 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.82 170.3 16.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -141.72 143.32 33.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.8 m -66.29 112.01 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 41.7 mtp -131.16 149.33 52.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -99.19 124.1 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 27.1 m -109.68 119.11 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -138.79 161.85 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 18' ' ' LEU . 6.8 mt -105.01 165.02 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -75.78 175.29 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -44.01 -55.96 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -99.68 19.16 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 53.12 48.11 22.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.536 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 47.2 mtp180 -97.83 -10.33 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 46' ' ' ARG . 9.9 m-85 -159.44 153.88 24.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.05 149.55 23.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.05 134.4 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 34.9 mt -112.91 157.81 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -138.64 144.21 39.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 148.62 -132.46 4.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' GLY . 14.6 m-20 -36.34 -49.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -148.08 178.76 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -83.41 99.24 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -110.99 152.45 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -155.21 122.39 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.27 99.94 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.805 ' HB3' HG22 ' A' ' 61' ' ' VAL . 41.0 mt-10 -64.48 118.97 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.1 mt -54.22 -26.63 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 59' ' ' GLU . 18.0 m -61.88 -18.05 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -99.17 -35.52 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 88' ' ' GLN . 62.9 mt -53.43 134.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.3 m -105.56 -63.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.0 m -104.08 139.53 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 87' ' ' LEU . 86.3 t -134.97 100.97 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -126.38 159.41 33.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 123' ' ' HIS . 80.3 mt -108.58 142.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.458 HD13 ' HE3' ' A' ' 101' ' ' LYS . 84.4 mt -89.17 101.71 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.867 0.365 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -92.58 24.64 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 161.99 -170.14 37.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.535 ' HB2' HD22 ' A' ' 119' ' ' LEU . 3.6 ttt -148.44 151.19 34.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -129.83 113.55 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.721 ' CD2' HG13 ' A' ' 66' ' ' VAL . 6.7 mt -119.46 152.76 36.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.0 mt-30 -126.94 140.83 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 16.0 p90 -154.43 168.39 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.9 p -116.94 143.0 46.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.681 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.4 t -119.1 138.94 26.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.676 0.75 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.681 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.1 Cg_endo -69.75 130.65 19.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.4 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.56 -49.0 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -76.36 171.51 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 111.123 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.68 125.37 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.38 -161.25 13.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -124.62 138.15 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.464 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 92.7 m -100.35 152.34 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -125.32 151.4 46.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.428 HD11 ' CG1' ' A' ' 26' ' ' VAL . 5.0 tp -124.53 117.41 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 69' ' ' LEU . 52.3 tttt -98.19 132.54 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 85' ' ' MET . 73.8 mt -118.91 137.76 53.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.3 m -141.32 132.0 25.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' HB1' ' A' ' 115' ' ' ALA . 69.9 t -67.84 130.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.92 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.763 ' O ' HG23 ' A' ' 116' ' ' VAL . 13.0 mmt180 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -49.79 -53.97 22.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -60.85 -66.23 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 104' ' ' VAL . . . -43.71 -59.14 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 112' ' ' ARG . 98.9 t -47.55 -51.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.71 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.518 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 27.7 t90 -54.75 -40.92 69.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 85' ' ' MET . 66.5 mt -61.91 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.66 -38.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.84 41.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' HD11 ' A' ' 41' ' ' LEU . 15.4 tpt -47.9 -45.02 30.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.555 ' C ' ' HD1' ' A' ' 123' ' ' HIS . 1.3 t-80 -67.15 -47.13 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -53.22 -54.89 29.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -53.0 58.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -37.38 -33.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -60.53 -54.39 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.68 -45.11 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.02 -53.14 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.738 0.304 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 67.5 mt-30 -79.09 -38.01 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 69.6 mt -50.18 -58.81 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 12.5 pttp -52.41 -38.11 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.475 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 54.6 t -69.64 -37.81 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 12.4 mt -70.52 -66.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -48.69 -43.07 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -46.29 -52.67 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.53 154.57 27.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.447 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.865 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -142.62 179.94 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 m -105.6 135.88 46.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.865 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 6.3 m-85 -148.26 172.48 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.822 HD22 ' HB2' ' A' ' 34' ' ' PRO . 13.8 mt -103.63 113.8 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' HD11 ' A' ' 100' ' ' LEU . 52.4 t -100.78 129.57 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 126.62 55.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -97.43 140.38 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.68 -27.84 2.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -80.1 -45.9 17.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 98.7 p -92.85 131.87 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -13.27 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -101.79 129.34 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.822 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.79 150.6 68.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.598 ' C ' HD23 ' A' ' 25' ' ' LEU . 14.4 tt0 -128.33 142.26 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -70.41 105.1 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mtp -120.59 175.55 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -119.86 128.0 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.8 122.97 42.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 161.32 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 45' ' ' GLN . 7.3 mt -102.88 121.69 43.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.02 177.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -42.89 135.32 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.9 t-20 51.72 25.02 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.564 ' HB2' HD22 ' A' ' 41' ' ' LEU . 24.2 pt20 44.13 45.15 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 14.3 mmm180 -93.51 -4.27 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 90.5 m-85 -157.85 161.59 38.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.7 mt -119.94 133.34 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -119.24 151.95 37.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.653 HD11 HD11 ' A' ' 58' ' ' ILE . 15.4 mt -125.6 158.91 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -141.49 136.94 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . . . 158.34 -151.38 22.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' GLY . 4.9 m-20 -36.39 -31.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 52' ' ' GLY . 19.9 m -152.4 143.74 23.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -77.38 107.74 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.535 ' CB ' HD12 ' A' ' 50' ' ' LEU . 13.1 m-85 -104.03 168.91 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -148.47 116.31 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.653 HD11 HD11 ' A' ' 50' ' ' LEU . 44.1 mt -113.54 100.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.734 ' HB2' HG22 ' A' ' 61' ' ' VAL . 2.1 pm0 -78.53 122.25 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.2 mt -50.18 -33.25 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 59' ' ' GLU . 18.3 m -52.66 -28.41 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -89.65 -48.93 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.9 mt -38.05 128.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -100.63 -61.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -103.96 149.14 25.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.595 HG13 HD23 ' A' ' 87' ' ' LEU . 85.7 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -135.33 159.15 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 84' ' ' GLY . 49.1 mt -108.35 135.17 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.81 128.53 34.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.8 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.66 ' HB3' HG13 ' A' ' 116' ' ' VAL . . . . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.845 0.355 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.2 p -85.97 -25.59 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -171.82 -159.88 19.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.3 ttm -150.49 157.55 43.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 23.8 t80 -128.32 142.66 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD23 HG13 ' A' ' 66' ' ' VAL . 4.6 mt -148.21 142.87 26.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -124.51 131.57 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -145.91 171.4 14.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.6 p -119.31 145.59 46.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 92' ' ' PRO . 58.1 t -104.71 133.84 19.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.69 95.06 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.41 10.11 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -124.09 162.99 22.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 111.123 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -106.35 110.63 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.88 -169.96 13.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.19 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.6 m -109.26 131.89 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 16.7 pt20 -104.13 164.8 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.561 HD11 ' CG1' ' A' ' 26' ' ' VAL . 6.9 tp -140.6 138.62 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -118.07 127.53 53.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.54 ' CD2' HG22 ' A' ' 26' ' ' VAL . 91.3 mt -117.39 136.89 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -140.1 145.57 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.5 t -71.24 148.36 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.567 HG11 ' HG ' ' A' ' 25' ' ' LEU . 16.4 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 18.2 mtt85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 41.9 mtt180 -37.5 -49.51 1.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -49.37 -68.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 24' ' ' PHE . . . -56.05 -57.66 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' A' ' 119' ' ' LEU . 82.0 t -42.55 -47.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.15 81.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.574 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 12.1 t90 -65.89 -30.67 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 116' ' ' VAL . 65.7 mt -66.4 -48.51 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.8 -35.43 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.87 -46.81 87.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.546 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.1 tmt? -50.0 -68.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' MET . 0.9 OUTLIER -37.8 -69.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -42.86 -35.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.485 ' HB1' ' OE1' ' A' ' 45' ' ' GLN . . . -73.37 -41.66 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.96 -35.47 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.16 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.19 -34.66 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.39 -49.72 70.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.765 0.317 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' LEU . 2.0 mp0 -84.39 -49.18 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' GLN . 82.8 mt -34.2 -61.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -48.19 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.5 t -52.25 -44.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.597 HD22 HD12 ' A' ' 41' ' ' LEU . 17.7 mt -64.42 -63.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 mt -46.55 -45.08 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -43.26 -45.42 5.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.68 130.96 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.669 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -120.08 164.25 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 39.5 m -95.22 147.03 23.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.669 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 34.7 m-85 -159.88 171.93 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 35' ' ' GLU . 15.0 mt -109.59 123.49 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -108.53 127.82 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -110.7 109.15 19.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 51.6 m-85 -87.43 139.71 30.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.24 -39.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -79.17 -59.54 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.63 97.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.61 -20.55 65.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -109.6 134.47 20.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.576 ' HB2' HD22 ' A' ' 25' ' ' LEU . 54.5 Cg_endo -69.7 134.16 27.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.652 ' C ' HD23 ' A' ' 25' ' ' LEU . 5.3 tm-20 -108.76 151.59 26.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -79.69 106.91 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.2 mtp -122.71 156.22 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -103.24 123.81 47.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 t -104.17 122.76 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -142.53 167.26 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.597 HD12 HD22 ' A' ' 18' ' ' LEU . 4.9 mt -108.98 157.29 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.42 166.91 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -46.84 -44.43 19.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.31 5.15 48.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 55.69 52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' CG ' ' A' ' 47' ' ' TYR . 6.5 mmm180 -108.03 -7.54 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.432 ' O ' HD23 ' A' ' 41' ' ' LEU . 8.3 m-85 -155.97 170.27 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 ' CE ' ' A' ' 122' ' ' MET . 44.9 mt -116.6 140.98 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -124.48 150.51 45.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' A' ' 56' ' ' TYR . 16.9 mt -127.79 147.07 50.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.48 118.31 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.37 -124.47 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -41.62 -48.55 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -152.6 164.56 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -69.03 96.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HB3' HD12 ' A' ' 50' ' ' LEU . 12.5 m-85 -109.42 149.57 29.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -149.89 117.61 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CD1' HD22 ' A' ' 100' ' ' LEU . 35.4 mt -100.07 103.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HB3' HG22 ' A' ' 61' ' ' VAL . 1.2 mp0 -69.61 122.92 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.0 -40.45 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.56 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.3 m -47.63 -27.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.47 -47.11 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 88' ' ' GLN . 32.7 mt -42.04 131.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -105.69 -57.1 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -103.96 145.85 29.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.528 HG13 HD23 ' A' ' 87' ' ' LEU . 93.3 t -147.52 107.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.29 160.73 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.95 137.58 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 86' ' ' PHE . 76.2 mt -84.45 136.15 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.883 0.373 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.5 m -105.28 -39.09 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -150.68 -161.32 9.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.462 ' HB2' HD22 ' A' ' 119' ' ' LEU . 2.0 tpt -144.87 153.22 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.512 ' HB2' HD21 ' A' ' 69' ' ' LEU . 41.6 t80 -133.36 107.58 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.528 HD23 HG13 ' A' ' 66' ' ' VAL . 6.6 mt -120.59 124.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.699 ' O ' HG23 ' A' ' 63' ' ' ILE . 47.5 mt-30 -101.57 154.31 18.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -169.76 163.4 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 97' ' ' VAL . 69.2 p -109.91 161.39 15.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' HB ' HG22 ' A' ' 94' ' ' THR . 88.1 t -125.18 131.15 24.01 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 107.13 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.32 -41.49 1.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 91' ' ' VAL . 4.7 t -87.69 166.79 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 111.123 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -111.08 118.7 36.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.28 -166.17 14.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.429 HG22 HG22 ' A' ' 90' ' ' THR . 90.0 t -126.41 142.66 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.386 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -107.3 147.11 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.87 153.68 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 58' ' ' ILE . 5.0 tp -126.66 139.1 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -120.53 127.96 52.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 86.5 mt -115.2 141.03 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.0 m -129.73 145.27 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.98 134.54 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.876 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 13.8 ttt180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.757 0.313 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 10.0 mpt_? -38.16 -47.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.79 -60.81 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -43.74 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 120' ' ' VAL . 89.8 t -44.0 -51.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.21 -38.81 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.59 ' CD1' HD23 ' A' ' 18' ' ' LEU . 35.6 t90 -76.93 -47.04 22.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.462 HD22 ' HB2' ' A' ' 85' ' ' MET . 72.3 mt -52.49 -48.56 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 116' ' ' VAL . 12.6 p -72.04 -27.49 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.67 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.473 ' CE ' HD11 ' A' ' 48' ' ' LEU . 7.4 tpt -56.27 -52.09 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -56.39 -34.32 66.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -72.41 -48.47 41.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -63.63 -55.42 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.13 -40.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -54.9 -49.31 71.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 125' ' ' ALA . 42.5 mt -56.3 -43.82 79.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.44 -55.14 23.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.742 0.306 . . . . 0.0 110.912 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 17' ' ' VAL . 28.2 mm100 -85.68 -37.49 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -42.57 -40.35 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 4.5 ptpp? -70.43 -31.4 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.581 HG11 ' HB1' ' A' ' 117' ' ' ALA . 55.2 t -77.61 -39.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 41' ' ' LEU . 16.8 mt -62.77 -49.43 75.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' SER . 43.9 mt -61.61 -46.53 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' LEU . 1.8 m -36.59 -48.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.23 132.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -135.34 146.47 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.504 ' CG2' HG23 ' A' ' 36' ' ' THR . 18.7 m -72.19 142.29 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 95.8 m-85 -148.42 160.83 42.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' HG22 ' A' ' 105' ' ' VAL . 12.0 mt -93.56 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG1' HD11 ' A' ' 100' ' ' LEU . 97.3 t -103.33 129.04 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 31' ' ' SER . 14.7 m -100.5 97.66 8.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLY . 14.6 m-85 -75.25 155.86 36.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.37 -116.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -125.6 39.59 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 27' ' ' THR . 38.9 t -79.77 102.18 8.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -37.96 -37.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 16.5 ttmt -105.88 130.62 22.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.569 ' HG2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.74 -173.86 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -136.6 139.52 42.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.504 HG23 ' CG2' ' A' ' 23' ' ' THR . 23.3 m -64.15 107.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 30.7 mtp -130.95 161.27 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.4 m -107.56 131.28 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.98 112.6 20.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -147.11 165.79 28.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 18' ' ' LEU . 9.5 mt -103.08 137.37 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -62.22 165.85 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -47.15 -39.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -70.76 -25.48 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 62.21 42.42 9.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -124.13 -19.45 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.09 148.59 49.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.736 HD11 ' SD ' ' A' ' 122' ' ' MET . 28.4 mt -99.39 142.23 31.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -125.18 156.69 38.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 56' ' ' TYR . 28.6 mt -126.34 154.21 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.02 109.4 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.98 -125.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.52 -42.23 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -156.25 177.71 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -70.81 103.89 2.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HB3' HD12 ' A' ' 50' ' ' LEU . 12.1 m-85 -122.98 157.94 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -156.98 138.84 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.492 ' CG2' HD11 ' A' ' 63' ' ' ILE . 72.1 mt -105.06 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HB3' HG22 ' A' ' 61' ' ' VAL . 10.2 mt-10 -64.54 101.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' VAL . 58.4 mt -43.38 -51.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.434 HG22 ' HB3' ' A' ' 59' ' ' GLU . 7.0 m -36.34 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.1 m-70 -75.62 -54.76 6.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.492 HD11 ' CG2' ' A' ' 58' ' ' ILE . 50.4 mt -33.99 121.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.3 p -101.14 -56.01 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.793 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -103.94 141.46 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.649 HG13 ' CD2' ' A' ' 87' ' ' LEU . 74.5 t -144.82 105.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -133.4 160.68 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -106.37 140.92 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.26 122.46 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 p . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.862 0.363 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.5 t -92.07 -38.95 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.44 179.52 16.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.54 ' HB2' HD22 ' A' ' 119' ' ' LEU . 1.0 OUTLIER -148.0 154.81 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 85' ' ' MET . 8.5 t80 -139.99 128.47 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.649 ' CD2' HG13 ' A' ' 66' ' ' VAL . 28.6 mt -135.26 165.53 25.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.36 135.54 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -159.55 156.34 27.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.0 p -99.17 142.46 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 92' ' ' PRO . 87.4 t -110.16 138.86 20.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.597 0.713 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.76 133.13 24.82 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.46 -43.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 14.8 t -82.07 168.91 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -116.48 125.89 52.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.42 -165.97 12.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.97 134.68 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 94.1 m -109.09 129.44 55.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -110.82 147.85 33.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.624 HD11 ' CG1' ' A' ' 26' ' ' VAL . 3.0 tp -116.8 159.41 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -138.13 145.41 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 26' ' ' VAL . 7.1 mt -131.5 135.6 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.1 m -138.51 148.21 44.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.38 130.82 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.67 HG22 ' HG ' ' A' ' 25' ' ' LEU . 42.3 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -47.83 -42.77 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 41.7 tp60 -63.76 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.56 -63.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.53 -44.04 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.581 ' HB1' HG11 ' A' ' 17' ' ' VAL . . . -49.69 -50.35 44.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -64.21 -48.34 76.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 85' ' ' MET . 97.3 mt -50.29 -46.24 55.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 117' ' ' ALA . 9.4 p -74.21 -36.04 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.72 -54.79 42.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.736 ' SD ' HD11 ' A' ' 48' ' ' LEU . 7.6 tpt -49.21 -60.33 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -46.37 -48.75 18.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -53.21 -47.45 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.81 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.1 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -53.22 -49.96 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.6 -42.79 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.06 -60.21 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.73 0.3 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.8 pm0 -69.17 -17.77 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.29 -71.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -47.2 -38.76 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.63 -43.98 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.746 ' HB3' HD12 ' A' ' 41' ' ' LEU . 36.1 mt -66.54 -60.94 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -39.06 -54.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -44.01 -52.93 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.92 154.81 31.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -137.9 139.68 39.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.077 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.523 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 5.2 m -69.32 130.7 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 23.8 m-85 -141.17 172.8 12.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.918 HD22 ' HB2' ' A' ' 34' ' ' PRO . 11.9 mt -105.16 116.94 32.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.05 132.78 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -118.91 135.73 54.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.101 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -113.44 160.12 18.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.21 -11.5 52.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -97.07 -36.25 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.6 p -96.79 119.56 35.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -7.67 57.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.7 138.26 25.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.563 0.696 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.918 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.77 145.36 56.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.431 ' C ' HD23 ' A' ' 25' ' ' LEU . 4.3 tp10 -120.12 140.66 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 m -70.87 109.63 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.6 mtp -128.79 153.97 46.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 m -93.09 147.55 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -135.39 126.76 28.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -155.94 166.5 33.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.746 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.4 mt -103.62 150.59 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -66.9 169.76 7.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -47.77 -40.36 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -92.08 -13.74 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 66.67 39.96 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -104.24 -19.32 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -135.79 155.26 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -106.09 140.07 39.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.465 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.7 m-85 -118.94 144.94 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.562 HD11 HD12 ' A' ' 58' ' ' ILE . 38.0 mt -131.34 120.0 22.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -111.4 138.4 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.63 -133.7 3.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.15 -47.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -146.15 158.08 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 13.5 p80 -73.33 115.02 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -124.41 150.34 45.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -146.17 112.98 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 50' ' ' LEU . 33.9 mt -107.54 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.31 132.65 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 60' ' ' ILE . 73.6 mt -64.49 -8.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -77.94 -27.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.3 -25.31 19.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 88' ' ' GLN . 23.9 mt -61.65 135.69 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t -111.39 -53.96 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.3 m -109.38 141.48 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 87' ' ' LEU . 70.3 t -143.23 106.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.98 156.83 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.7 mt -104.05 137.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.56 111.02 19.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.82 0.343 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.9 p -99.67 -24.93 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.03 169.96 42.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpp -122.75 147.2 46.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -124.61 121.46 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 66' ' ' VAL . 4.0 mt -130.68 140.78 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 63' ' ' ILE . 9.5 mt-30 -116.95 139.54 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 58' ' ' ILE . 11.1 p90 -158.35 146.16 18.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.859 HG22 HG22 ' A' ' 97' ' ' VAL . 40.8 p -95.49 137.27 34.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 92' ' ' PRO . 68.7 t -85.99 134.35 39.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.76 104.73 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.84 21.15 8.8 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -142.91 145.89 33.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.53 123.81 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.02 15.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.859 HG22 HG22 ' A' ' 90' ' ' THR . 87.9 t -104.53 140.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 99' ' ' GLN . 86.5 m -105.37 153.55 21.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 3.3 mp0 -119.9 164.22 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -136.62 136.4 39.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -123.72 134.0 53.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.7 mt -123.09 152.01 41.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.5 m -141.61 147.49 37.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.433 HG11 ' HD3' ' A' ' 112' ' ' ARG . 61.7 t -72.8 124.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.433 ' HD3' HG11 ' A' ' 104' ' ' VAL . 12.0 tpp180 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -49.4 -56.4 9.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 37.3 tp60 -51.96 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -44.19 -68.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.5 t -43.0 -50.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 114' ' ' GLN . . . -45.9 -48.94 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 30.6 t90 -66.14 -46.26 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.02 -55.27 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 121' ' ' ALA . 6.0 p -67.55 -43.79 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -57.03 -27.94 62.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 9.0 tpt -68.73 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -57.85 -47.56 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -55.13 -51.33 66.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -73.17 -21.78 60.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.594 ' O ' ' CE1' ' A' ' 130' ' ' TYR . . . -72.12 -22.46 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -70.94 -57.55 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.6 mt -37.81 -33.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -57.15 -61.63 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 11.4 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.786 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 mmmt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.704 0.288 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -77.35 -56.01 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.968 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -54.95 -43.68 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.77 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.7 ptmm? -59.55 -37.15 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 13' ' ' LYS . 58.4 t -67.86 -43.37 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.729 HD13 ' CD1' ' A' ' 41' ' ' LEU . 49.3 mt -57.94 -41.89 83.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -66.86 -51.05 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -40.45 -45.58 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 126.6 3.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.683 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . . . -121.09 165.37 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 24' ' ' PHE . 47.7 m -95.51 146.88 24.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CE1' ' HB3' ' A' ' 22' ' ' ALA . 37.5 m-85 -157.58 150.1 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.855 HD22 ' HB2' ' A' ' 34' ' ' PRO . 10.8 mt -84.43 104.07 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -92.41 108.34 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -93.43 123.06 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' GLU . 26.3 m-85 -89.97 142.5 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.22 81.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -72.73 -41.95 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.6 m -94.42 -7.27 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' PHE . 13.2 mt-10 38.82 24.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.2 ttmt -128.52 137.01 30.0 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.602 0.715 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . 0.855 ' HB2' HD22 ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.75 159.45 53.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -149.2 143.95 26.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -78.67 104.58 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.1 mtp -130.49 168.76 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.5 m -115.46 130.77 56.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -115.8 114.07 24.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -135.54 165.26 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.729 ' CD1' HD13 ' A' ' 18' ' ' LEU . 8.5 mt -102.88 146.07 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -60.11 178.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -52.53 -44.29 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -103.62 22.32 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.436 ' HB3' HD13 ' A' ' 41' ' ' LEU . 10.8 mp0 41.47 45.38 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -107.97 -25.88 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -132.09 144.14 50.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.8 mt -102.22 157.29 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -148.13 156.12 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -129.37 159.76 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.74 124.15 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 171.15 -134.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' GLY . 18.2 p-10 -37.69 -46.02 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -153.06 177.78 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.424 ' CD2' ' H ' ' A' ' 55' ' ' HIS . 7.1 p80 -77.95 119.76 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -130.16 152.5 49.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -154.79 132.39 11.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.6 mt -112.27 99.98 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.648 ' HB3' HG22 ' A' ' 61' ' ' VAL . 4.4 mt-10 -63.62 112.84 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 63' ' ' ILE . 80.1 mt -48.06 -40.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 59' ' ' GLU . 34.0 m -50.02 -30.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -82.88 -47.45 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.655 HG23 ' O ' ' A' ' 88' ' ' GLN . 78.7 mt -42.14 134.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -111.4 -36.16 5.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -121.73 143.86 49.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.543 HG13 ' CD2' ' A' ' 87' ' ' LEU . 89.9 t -146.87 105.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -135.89 156.92 48.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 123' ' ' HIS . 67.5 mt -102.96 143.63 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.501 HD11 ' HG3' ' A' ' 101' ' ' LYS . 93.7 mt -89.93 109.84 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 82' ' ' ALA . 82.6 p . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' ' 70' ' ' THR . . . . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.854 0.359 . . . . 0.0 111.104 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.6 p -103.28 38.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.62 176.68 21.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.771 ' HB3' HD12 ' A' ' 102' ' ' LEU . 2.1 tpt -141.06 152.26 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -135.28 112.82 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.543 ' CD2' HG13 ' A' ' 66' ' ' VAL . 14.1 mt -124.87 149.65 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.655 ' O ' HG23 ' A' ' 63' ' ' ILE . 30.0 mt-30 -123.83 154.82 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 17.1 p90 -169.54 154.25 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.543 HG22 HG22 ' A' ' 97' ' ' VAL . 27.0 p -111.52 142.1 44.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.25 130.3 23.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.52 -41.41 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -88.33 152.13 22.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.151 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -94.31 128.17 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.2 179.62 24.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 90' ' ' THR . 77.4 t -113.9 146.19 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 90.6 m -108.26 130.11 55.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -104.47 171.67 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.2 tp -144.21 120.19 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.501 ' HG3' HD11 ' A' ' 69' ' ' LEU . 7.5 ttpt -114.28 124.1 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' A' ' 85' ' ' MET . 47.6 mt -108.21 146.75 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.7 m -142.64 150.45 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.739 HG11 ' HG2' ' A' ' 112' ' ' ARG . 89.3 t -73.74 140.62 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.739 ' HG2' HG11 ' A' ' 104' ' ' VAL . 7.9 mtt85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -38.16 -44.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -77.98 -45.66 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.79 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.856 ' HA ' HD12 ' A' ' 119' ' ' LEU . 91.0 t -48.15 -47.52 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.02 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 17.5 t90 -67.45 -45.67 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 116' ' ' VAL . 27.2 mt -49.46 -59.92 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.4 p -62.07 -43.53 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -51.41 -44.43 62.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.3 tpt -58.9 -60.99 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 3.5 t-80 -52.1 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -39.13 -61.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.44 -46.47 83.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -50.01 -56.85 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 mt -51.26 -53.23 37.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -40.22 -61.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.749 0.309 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -53.6 -22.37 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -46.2 -71.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -39.85 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.622 HG13 HE21 ' A' ' 114' ' ' GLN . 62.6 t -59.71 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.46 HD22 HD12 ' A' ' 41' ' ' LEU . 95.0 mt -63.1 -58.81 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.4 mt -55.52 -52.84 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.0 p -42.01 -50.93 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.91 146.24 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -132.39 164.31 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 m -83.64 144.42 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.1 m-85 -148.93 150.83 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.7 mt -93.35 108.49 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.609 HG22 ' CD2' ' A' ' 102' ' ' LEU . 58.4 t -95.91 122.35 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -106.51 101.91 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -75.63 147.64 39.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.44 -48.86 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -74.21 -51.86 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 m -62.85 87.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.91 -30.22 33.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -103.21 135.24 19.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 142.59 48.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -114.25 155.49 26.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -81.23 111.44 17.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtp -125.68 176.5 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.3 m -127.13 131.22 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 t -122.95 119.4 30.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -142.22 164.03 31.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 47' ' ' TYR . 3.9 mt -104.69 132.73 50.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 6.0 t -59.34 177.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -52.87 -48.68 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -60.4 -19.63 56.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.446 ' NE2' ' HB2' ' A' ' 18' ' ' LEU . 29.7 mt-30 52.37 42.04 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' HD12 ' A' ' 60' ' ' ILE . 23.1 mmt180 -124.7 -24.37 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.606 ' O ' HD23 ' A' ' 41' ' ' LEU . 72.8 m-85 -120.51 147.7 44.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -98.59 147.21 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 42' ' ' SER . 68.9 m-85 -136.82 144.01 43.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.758 HD11 HD11 ' A' ' 58' ' ' ILE . 14.7 mt -115.4 160.76 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -149.17 128.69 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 165.04 -133.6 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-20 -34.46 -43.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.4 m -152.82 171.92 17.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -76.49 110.39 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.744 ' HB3' HD12 ' A' ' 50' ' ' LEU . 9.2 m-85 -121.17 157.27 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 36.1 mt-10 -150.92 124.24 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.758 HD11 HD11 ' A' ' 50' ' ' LEU . 40.8 mt -106.85 100.04 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.13 109.04 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.74 HD12 ' O ' ' A' ' 46' ' ' ARG . 49.4 mt -48.74 -47.13 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.412 ' H ' HG13 ' A' ' 61' ' ' VAL . 3.2 m -48.42 -36.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.24 -38.62 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 60' ' ' ILE . 49.3 mt -51.6 122.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -95.63 -54.05 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -104.03 145.32 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' ' 87' ' ' LEU . 83.9 t -144.26 105.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -133.4 160.67 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.591 HD11 ' HB2' ' A' ' 123' ' ' HIS . 96.4 mt -107.16 134.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.503 HD13 ' HE2' ' A' ' 101' ' ' LYS . 94.8 mt -84.05 124.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.836 0.351 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' THR . 12.3 t -123.54 43.36 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 177.84 176.61 45.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.534 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.456 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.6 ttm -162.6 133.99 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 34.1 t80 -121.78 114.35 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' A' ' 66' ' ' VAL . 15.5 mt -119.04 155.12 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -133.23 131.62 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.403 ' OH ' HD13 ' A' ' 100' ' ' LEU . 9.9 p90 -146.87 165.45 29.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -114.86 140.2 49.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.76 128.81 27.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.77 -32.99 4.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.4 t -96.56 169.39 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 111.117 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.98 117.45 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.91 -178.63 16.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.4 143.99 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.6 m -111.28 132.19 54.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.1 mt-30 -106.48 145.09 32.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 26' ' ' VAL . 13.2 tp -120.01 131.78 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.503 ' HE2' HD13 ' A' ' 69' ' ' LEU . 50.4 tttm -115.71 132.24 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.609 ' CD2' HG22 ' A' ' 26' ' ' VAL . 63.1 mt -121.88 145.31 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 m -144.01 133.59 23.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.435 HG11 ' HD3' ' A' ' 112' ' ' ARG . 96.7 t -71.62 133.68 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.948 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 116' ' ' VAL . 10.6 tpp180 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.84 -56.01 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.622 HE21 HG13 ' A' ' 17' ' ' VAL . 10.1 tp60 -59.5 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.57 -66.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 112' ' ' ARG . 88.8 t -44.22 -47.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -69.9 -46.24 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 116' ' ' VAL . 33.2 mt -52.13 -49.71 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.5 p -70.48 -45.04 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.514 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -54.05 -47.73 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.7 tpt -58.17 -53.45 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.591 ' HB2' HD11 ' A' ' 68' ' ' ILE . 35.3 t-80 -49.47 -55.03 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.442 ' HD3' HG22 ' A' ' 120' ' ' VAL . 9.8 mptt -53.87 -44.28 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -64.87 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.31 -42.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -51.87 -55.81 17.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.37 -48.9 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 60' ' ' ILE . 12.7 mt -42.46 -59.67 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 17' ' ' VAL . 47.6 mmtt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.729 0.299 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' LEU . 77.0 mt-30 -72.7 -51.9 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.58 HD22 ' OE1' ' A' ' 45' ' ' GLN . 48.2 mt -35.81 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -42.93 -43.73 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 13' ' ' LYS . 97.8 t -64.33 -46.65 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 125' ' ' ALA . 85.2 mt -52.41 -59.32 4.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.35 -46.48 55.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -37.34 -50.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.06 138.73 5.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.61 165.55 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.566 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 17.1 m -84.26 147.67 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 23' ' ' THR . 65.3 m-85 -160.05 171.84 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -110.11 114.6 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.579 HG13 HD11 ' A' ' 100' ' ' LEU . 99.3 t -99.09 117.95 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -101.27 101.48 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.43 143.98 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.75 -36.42 6.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -73.92 -53.28 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -73.47 117.92 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -81.0 -6.98 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -122.86 138.23 29.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.01 46.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -123.5 141.81 51.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -66.57 106.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.75 159.13 28.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.4 m -107.2 121.07 43.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 m -109.59 125.01 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -144.36 167.62 22.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.0 mt -103.03 144.57 31.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 174.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -45.79 -53.47 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -96.09 7.11 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.58 ' OE1' HD22 ' A' ' 15' ' ' LEU . 3.3 mt-30 62.98 43.63 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.647 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 90.3 mtt180 -99.56 -10.35 22.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 16.9 m-85 -154.81 159.01 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -116.6 140.41 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 56' ' ' TYR . 15.1 mt -124.38 141.11 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.92 131.81 54.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 158.08 -131.11 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' GLY . 69.6 m-20 -34.6 -47.79 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -158.05 175.76 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -73.0 88.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.725 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.8 m-85 -102.47 147.98 26.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -152.74 150.14 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.627 ' CD1' HD22 ' A' ' 100' ' ' LEU . 68.3 mt -127.93 100.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 61' ' ' VAL . 7.6 pt-20 -65.19 122.84 18.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.43 -36.15 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 62' ' ' HIS . 20.4 m -48.01 -29.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.552 ' HD2' HG23 ' A' ' 61' ' ' VAL . 7.3 m-70 -89.14 -49.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 62' ' ' HIS . 52.5 mt -36.38 126.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.4 t -105.37 -53.52 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.5 m -105.35 137.42 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 87' ' ' LEU . 57.3 t -138.22 105.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.95 158.33 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -105.49 137.17 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 86' ' ' PHE . 77.7 mt -82.94 129.14 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.0 p . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.95 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.845 0.355 . . . . 0.0 111.088 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.0 p -51.23 -46.46 62.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.19 -179.06 35.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.581 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.5 ttm -119.98 155.82 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' HB2' HD21 ' A' ' 69' ' ' LEU . 46.6 t80 -133.65 119.13 18.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' VAL . 8.7 mt -129.87 151.61 50.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.86 140.7 50.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -157.4 155.55 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.499 HG22 HG22 ' A' ' 97' ' ' VAL . 47.5 p -102.39 154.36 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -115.07 129.96 24.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 81.87 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.16 32.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -150.5 177.91 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -118.82 118.8 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.2 -176.71 22.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 90' ' ' THR . 81.5 t -113.88 137.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 87.7 m -101.93 136.92 40.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.429 ' C ' ' CD ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -112.37 168.72 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 58' ' ' ILE . 13.5 tp -134.62 134.21 40.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 69' ' ' LEU . 28.7 tttt -118.27 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 85' ' ' MET . 42.0 mt -123.87 153.66 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.5 m -142.28 146.17 34.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 47.7 t -87.08 119.03 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' ' 105' ' ' VAL . 10.4 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.2 tpp180 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -54.19 -46.49 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -62.68 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.438 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -46.13 -62.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.64 -44.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' ALA . . . -53.08 -42.04 65.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.51 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 32.0 t90 -78.75 -33.41 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.25 -46.83 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.5 p -79.28 -38.75 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' ALA . . . -59.52 -53.65 55.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.48 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.2 tmt? -45.64 -68.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' MET . 36.7 t-80 -37.25 -41.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -53.54 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.98 -29.28 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -66.31 -50.5 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 130' ' ' TYR . 16.1 mttp -33.14 -56.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -41.56 -45.96 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 126' ' ' ALA . 13.1 mt -39.62 -57.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.862 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.0 ttpm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.703 0.287 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 17' ' ' VAL . 20.8 mp0 -66.07 -51.09 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.5 mt -36.78 -57.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 6.1 pttm -62.51 -32.9 73.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 13' ' ' LYS . 58.5 t -68.89 -33.57 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 41' ' ' LEU . 24.2 mt -70.33 -65.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -41.06 -51.14 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 t -44.12 -40.91 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 143.28 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.07 167.41 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 22.6 m -87.04 143.12 27.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -150.87 158.78 44.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 mt -100.18 107.18 18.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.563 HG11 HD11 ' A' ' 100' ' ' LEU . 25.9 t -93.03 127.65 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -116.24 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.72 148.95 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.25 -21.57 33.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.25 -34.13 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -100.38 131.39 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -85.51 -17.95 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -105.57 137.51 19.32 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -132.94 138.53 46.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -76.41 117.59 18.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.7 mtp -135.02 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 m -120.66 124.19 44.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -113.99 120.53 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.26 167.21 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 18' ' ' LEU . 10.0 mt -103.83 158.88 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 99.0 p -81.52 175.76 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -45.13 -54.29 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.83 -4.18 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 61.04 31.73 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 14.8 mtt-85 -96.24 3.03 53.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 46' ' ' ARG . 47.4 m-85 -157.69 148.72 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -104.39 146.29 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 42' ' ' SER . 10.3 m-85 -122.04 148.81 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' ' 56' ' ' TYR . 66.8 mt -126.83 153.39 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -139.97 129.49 24.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.28 -120.79 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.68 -43.35 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -149.45 173.71 13.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -70.71 105.49 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' TYR . . . . . 0.447 ' HB3' HD12 ' A' ' 50' ' ' LEU . 22.2 m-85 -120.11 149.05 42.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.8 140.66 16.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.414 ' CD1' HD22 ' A' ' 100' ' ' LEU . 33.9 mt -121.45 100.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.768 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.7 pm0 -64.76 135.56 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ILE . . . . . 0.418 ' O ' HG22 ' A' ' 60' ' ' ILE . 82.2 mt -70.05 -16.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 59' ' ' GLU . 28.5 m -69.49 -21.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.446 ' HD2' HG23 ' A' ' 61' ' ' VAL . 5.2 m-70 -97.2 -40.15 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -47.8 132.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -111.05 -51.58 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 m -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.5 t -134.59 101.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.19 158.51 41.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 84' ' ' GLY . 80.1 mt -103.69 146.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 101' ' ' LYS . 85.0 mt -88.38 120.12 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.1 p . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.954 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.876 0.37 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.8 p -102.26 34.31 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 142.21 -161.34 27.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.8 tpp -155.71 146.07 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 12.0 t80 -126.28 125.01 41.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mt -128.57 154.85 45.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -132.69 136.5 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -152.23 147.73 26.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.56 HG22 HG22 ' A' ' 97' ' ' VAL . 81.4 p -103.26 144.28 31.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.41 130.07 25.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 80.63 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.96 36.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 t -143.38 173.62 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -115.39 106.7 14.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.06 -175.49 18.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 90' ' ' THR . 69.8 t -115.92 143.44 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.2 m -104.28 136.3 44.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.6 pt20 -115.39 137.95 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.563 HD11 HG11 ' A' ' 26' ' ' VAL . 3.2 tp -115.68 122.09 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.593 ' HG3' HD11 ' A' ' 69' ' ' LEU . 1.9 ttmp? -100.12 135.36 41.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 26' ' ' VAL . 76.2 mt -123.82 131.77 53.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 m -128.18 148.03 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' A' ' 115' ' ' ALA . 61.7 t -78.3 144.51 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 116' ' ' VAL . 8.1 tpp180 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -52.67 -39.36 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -66.91 -60.94 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 104' ' ' VAL . . . -54.38 -57.79 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.879 ' HA ' HD12 ' A' ' 119' ' ' LEU . 99.4 t -47.98 -43.11 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.36 94.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TRP . . . . . 0.43 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 64.4 t90 -65.76 -46.87 77.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 116' ' ' VAL . 17.9 mt -48.16 -62.81 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 121' ' ' ALA . 6.8 p -61.54 -39.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -56.16 -41.01 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.0 tpt -61.56 -55.99 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 15.2 t-80 -58.55 -54.99 40.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -43.25 -58.5 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.05 99.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -43.7 -35.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.46 -49.78 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -52.52 -47.48 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 129' ' ' LEU . 13.0 mt -46.66 -59.58 2.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.7 p -104.53 130.64 52.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.846 0.355 . . . . 0.0 110.857 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 t -66.3 -54.64 22.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.73 166.41 10.98 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.46 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -112.32 -48.28 3.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.0 m -147.98 137.88 22.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.12 -179.72 3.13 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . -120.37 104.96 10.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.712 0.291 . . . . 0.0 111.112 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' ALA . 15.0 mp0 -34.83 -43.61 0.19 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -57.48 -52.17 66.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -73.14 -18.26 61.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.903 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -77.96 -35.06 50.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.828 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm -57.81 -22.95 50.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' O ' ' N ' ' A' ' 17' ' ' VAL . 29.8 mm-40 -89.43 -36.7 15.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.518 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -40.29 -40.69 1.2 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 25.3 pttt -70.79 -38.55 73.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 49.4 t -68.87 -37.72 77.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.114 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.954 ' HB3' HD12 ' A' ' 41' ' ' LEU . 31.3 mt -67.37 -54.29 21.8 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 20' ' ' SER . 58.3 mt -54.42 -50.89 66.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 19' ' ' LEU . 9.5 t -34.51 -46.04 0.26 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.86 122.18 2.85 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.47 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.494 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -114.12 153.1 30.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.809 0.338 . . . . 0.0 111.151 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 23.6 m -87.15 139.43 30.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.137 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 70.9 m-85 -149.86 -179.49 7.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.752 HD22 ' HB2' ' A' ' 34' ' ' PRO . 33.9 mt -108.62 110.49 21.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 37' ' ' MET . 98.8 t -96.97 132.46 41.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.067 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.5 m -124.84 117.95 25.28 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.092 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -86.08 146.05 26.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.913 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.9 -39.36 2.77 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.47 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.9 m-20 -76.5 -43.13 40.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.78 0.324 . . . . 0.0 110.822 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -79.63 124.13 28.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -89.55 -18.05 27.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -101.16 138.6 20.01 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.62 0.724 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.752 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.3 Cg_endo -69.75 139.6 40.65 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.694 2.263 . . . . 0.0 112.317 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -120.2 137.01 54.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.5 m -68.11 112.28 4.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.105 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.441 ' HB2' HG23 ' A' ' 26' ' ' VAL . 14.2 mtp -128.41 171.8 11.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 89.8 m -117.31 130.01 56.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.168 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 57.0 m -116.73 125.79 52.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 21.7 ptt180 -146.39 167.96 22.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.908 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.954 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.4 mt -103.07 164.14 11.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.879 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 14.1 t -81.42 177.27 9.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.82 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 74.2 m-20 -51.35 -44.13 61.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 45' ' ' GLN . 12.0 m-80 -103.37 29.11 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 44' ' ' ASN . 0.7 OUTLIER 34.42 39.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.887 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -108.31 -1.9 19.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 50.1 m-85 -153.07 146.99 25.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.917 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 19.1 mt -102.32 139.91 37.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.95 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.702 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.9 m-30 -120.05 155.24 33.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.702 HD23 ' O ' ' A' ' 49' ' ' PHE . 24.2 mt -135.82 143.26 45.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.87 -179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -134.0 136.41 44.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 170.44 -132.7 2.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.5 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.32 -25.87 16.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.854 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.9 m -155.94 172.46 18.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 -85.79 112.04 20.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.497 ' HB3' HD12 ' A' ' 50' ' ' LEU . 6.7 m-85 -124.74 147.69 48.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 26.7 mt-10 -149.17 126.14 11.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.903 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.521 ' CD1' HD22 ' A' ' 100' ' ' LEU . 56.9 mt -108.85 101.35 12.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.624 ' HB3' HG22 ' A' ' 61' ' ' VAL . 42.6 mt-10 -64.34 125.83 25.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.543 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.9 mt -65.23 -20.82 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.624 HG22 ' HB3' ' A' ' 59' ' ' GLU . 14.7 m -69.52 -26.77 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.122 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -89.36 -36.57 15.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.83 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 60' ' ' ILE . 71.7 mt -49.73 132.52 8.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.3 t -101.58 -64.66 1.04 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.3 m -107.82 149.83 27.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.175 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.635 HG13 HD23 ' A' ' 87' ' ' LEU . 43.1 t -150.86 105.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.107 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -131.07 159.06 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 84' ' ' GLY . 37.3 mt -101.83 134.63 41.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.15 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 62.6 mt -84.37 113.04 20.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.2 p -101.41 135.4 42.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.137 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -56.93 -48.05 79.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 165.74 -126.83 1.53 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.509 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -66.72 143.45 98.1 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.657 0.741 . . . . 0.0 110.852 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 134.33 27.8 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -43.71 2.54 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.652 2.235 . . . . 0.0 112.362 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -118.56 -149.5 8.68 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.478 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -63.55 -153.22 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.523 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -86.14 120.2 5.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.441 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -152.19 178.76 9.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.83 0.348 . . . . 0.0 110.902 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -84.03 46.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.078 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 21.7 ptt-85 -46.38 118.7 2.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.37 118.24 2.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.063 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.607 HG22 HH12 ' A' ' 112' ' ' ARG . 29.5 p -106.79 -26.51 11.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.145 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.402 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -133.58 -177.13 14.73 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.452 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.777 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.9 OUTLIER -150.17 150.38 31.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.783 0.325 . . . . 0.0 110.853 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 35.1 t80 -135.06 122.26 21.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.635 HD23 HG13 ' A' ' 66' ' ' VAL . 0.9 OUTLIER -131.7 139.55 49.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 63' ' ' ILE . 47.1 mt-30 -117.4 140.41 49.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.895 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 39.6 p90 -163.33 156.59 19.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.51 HG22 HG22 ' A' ' 97' ' ' VAL . 67.5 p -117.41 145.74 43.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.105 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.688 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.7 t -110.85 138.88 21.23 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.643 0.735 . . . . 0.0 111.15 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.688 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.77 114.76 3.81 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.703 2.269 . . . . 0.0 112.34 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.74 -45.54 1.15 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -80.93 -179.62 7.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.742 0.306 . . . . 0.0 111.12 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -122.94 118.9 28.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.3 -158.72 14.18 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.51 HG22 HG22 ' A' ' 90' ' ' THR . 87.6 t -125.63 145.44 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.893 0.378 . . . . 0.0 111.151 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 51.1 m -114.25 129.38 56.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -112.17 148.56 33.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.974 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.521 HD22 ' CD1' ' A' ' 58' ' ' ILE . 4.2 tp -125.59 132.15 52.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 ttpp -111.82 140.57 46.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.894 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 10.4 mt -130.37 120.05 23.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.9 m -119.54 162.16 19.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 61.1 t -80.55 122.5 35.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.45 149.46 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.141 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -101.22 37.0 1.85 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -90.97 177.8 6.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.879 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG13 HG23 ' A' ' 109' ' ' THR . 9.0 p -73.02 -40.08 58.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.137 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.419 HG23 HG13 ' A' ' 108' ' ' VAL . 39.5 p -116.31 88.41 2.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.454 HG13 ' N ' ' A' ' 111' ' ' GLY . 5.9 p -112.91 -45.07 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.131 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 110' ' ' VAL . . . 92.79 50.15 2.56 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.607 HH12 HG22 ' A' ' 83' ' ' THR . 15.6 mmt180 -37.97 -39.13 0.36 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.783 0.325 . . . . 0.0 110.863 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 28.6 mmt180 -59.02 -54.61 45.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -67.54 -48.24 67.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.57 -66.84 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.088 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 96.8 t -52.81 -31.75 16.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -72.28 -34.76 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.099 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.549 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 21.4 t90 -67.11 -51.84 49.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.777 HD22 ' HB2' ' A' ' 85' ' ' MET . 93.2 mt -46.44 -63.63 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.967 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.554 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.8 p -52.79 -47.22 51.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.554 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -52.7 -48.93 66.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.079 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -53.18 -63.87 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -48.08 -51.73 23.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 32.7 mttt -44.1 -53.47 6.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -65.97 -45.19 82.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.118 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.574 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -54.34 -19.77 6.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -78.46 -50.44 11.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.9 mt -65.8 -29.34 69.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.93 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' A' ' 129' ' ' LEU . 11.5 mt -59.13 -34.26 71.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.574 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.2 OUTLIER -103.38 -57.61 2.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 32.9 mt-10 -49.18 -22.71 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.406 ' HA ' ' NH2' ' A' ' 133' ' ' ARG . 15.7 t -147.6 176.39 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.406 ' NH2' ' HA ' ' A' ' 132' ' ' SER . 0.0 OUTLIER -96.68 155.91 16.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 -179.938 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -77.9 -56.98 4.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.874 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.4 tp60 -104.67 127.87 52.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.927 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 82.2 p -89.72 104.85 17.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.459 ' N ' ' HD2' ' A' ' 138' ' ' PRO . . . 163.81 -60.43 0.26 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.512 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 137' ' ' GLY . 53.4 Cg_endo -69.79 -6.69 19.2 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.69 2.26 . . . . 0.0 112.349 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.2 p -57.65 152.9 14.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 94.5 p -87.22 37.13 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -49.66 127.5 15.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.928 0.394 . . . . 0.0 110.866 -179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.9 t -163.73 117.33 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.867 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -115.88 82.6 0.32 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.504 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m -110.35 167.05 10.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.2 m -73.09 -59.02 2.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.859 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.78 -158.35 25.04 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.439 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -94.15 94.81 8.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.75 0.31 . . . . 0.0 111.082 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -63.04 -34.49 77.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -58.55 -34.04 70.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -81.43 -30.94 33.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.935 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.48 -15.49 57.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.842 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -88.64 -25.8 22.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 61.9 mt-30 -74.44 -19.62 60.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.3 mt -60.56 -68.01 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 ptpp? -38.67 -33.76 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 56.0 t -73.39 -49.74 35.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.161 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.537 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 85.9 mt -57.48 -63.13 1.33 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.3 mt -46.04 -52.19 12.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.936 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 m -39.6 -35.05 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.86 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 71.5 131.42 0.1 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.514 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -113.52 179.55 3.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.811 0.339 . . . . 0.0 111.117 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.446 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 8.5 m -105.59 140.9 37.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.118 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.514 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 44.0 m-85 -150.54 163.84 37.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.731 HD22 ' HB2' ' A' ' 34' ' ' PRO . 32.9 mt -94.7 115.28 27.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.928 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.484 HG13 HD11 ' A' ' 100' ' ' LEU . 62.1 t -101.25 126.82 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.158 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.2 m -118.39 108.11 14.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.166 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.474 ' O ' ' N ' ' A' ' 31' ' ' SER . 80.2 m-85 -83.33 135.25 34.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.94 -37.62 0.1 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.481 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -71.41 -44.98 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.849 0.357 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.474 ' N ' ' O ' ' A' ' 28' ' ' PHE . 9.6 m -87.47 121.84 30.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.813 -179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -84.69 -7.87 59.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -111.11 138.18 21.15 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.731 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.2 Cg_endo -69.81 144.48 53.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.688 2.258 . . . . 0.0 112.295 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 24.4 tp10 -122.69 146.86 47.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 27.9 m -79.9 108.67 13.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.129 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 76.7 mtp -130.07 162.44 28.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.904 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.2 m -107.91 145.68 33.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.2 t -131.76 138.34 48.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.8 ptp180 -155.63 166.35 33.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 48' ' ' LEU . 5.2 mt -104.81 161.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 6.1 t -74.37 173.97 9.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -54.73 -35.56 63.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -105.99 12.14 30.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.878 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 47.89 52.56 12.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.479 ' O ' ' CD1' ' A' ' 47' ' ' TYR . 9.3 mmt85 -118.48 -2.48 11.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.479 ' CD1' ' O ' ' A' ' 46' ' ' ARG . 76.7 m-85 -156.2 147.54 22.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.581 HD11 ' CE ' ' A' ' 122' ' ' MET . 59.2 mt -110.03 143.67 39.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.904 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -130.15 151.05 51.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.3 mt -117.93 158.05 25.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -134.91 139.84 45.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 147.97 -139.07 7.48 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.49 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.419 ' C ' ' O ' ' A' ' 52' ' ' GLY . 2.2 m-20 -35.51 -37.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.823 0.344 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 t -153.27 172.08 17.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.81 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 58.6 m-70 -97.46 90.74 5.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.883 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 20.5 m-85 -98.85 159.83 14.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.949 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -144.36 123.19 12.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 54.3 mt -105.23 100.53 10.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.13 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.659 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.3 pm0 -72.24 125.14 26.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 22.0 mt -58.92 -31.1 44.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.659 HG22 ' HB2' ' A' ' 59' ' ' GLU . 4.2 m -55.42 -27.13 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.12 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.59 ' HD2' HG23 ' A' ' 61' ' ' VAL . 7.6 m-70 -90.8 -46.59 8.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.815 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.0 mt -38.72 136.37 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.135 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 4.1 t -112.99 -56.64 2.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.841 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 55.4 m -106.17 140.76 38.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.131 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 87' ' ' LEU . 25.7 t -142.37 105.24 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -135.65 145.51 46.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 123' ' ' HIS . 56.1 mt -86.28 141.33 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -88.95 105.21 17.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 30.5 p -103.24 159.04 15.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -101.81 101.66 12.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.946 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 79.1 112.58 0.22 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -39.72 129.31 1.48 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.621 0.724 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 148.24 64.27 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.647 2.231 . . . . 0.0 112.338 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -50.6 0.45 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.68 2.253 . . . . 0.0 112.325 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 138.24 114.02 1.21 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.486 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 174.49 -159.43 28.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.511 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -84.53 -72.61 1.29 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 40.3 m-20 -37.9 157.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.899 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -170.97 142.25 1.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.103 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.698 ' H ' ' NE ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -127.08 -174.93 3.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.854 -179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -163.52 128.27 2.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.067 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 65.3 p -109.84 17.56 21.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 171.74 179.26 42.63 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.455 ' SD ' HD11 ' A' ' 87' ' ' LEU . 16.8 ttm -145.33 148.29 33.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.797 0.332 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' O ' HD23 ' A' ' 87' ' ' LEU . 3.7 t80 -126.87 130.32 49.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.471 HD22 HG22 ' A' ' 66' ' ' VAL . 10.8 mt -143.28 139.56 30.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 37.4 mt-30 -118.86 143.83 46.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -153.23 162.76 40.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 34.4 p -113.3 131.38 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.535 HG13 ' HD2' ' A' ' 92' ' ' PRO . 31.1 t -85.96 137.06 35.67 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.636 0.732 . . . . 0.0 111.14 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.535 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.77 84.89 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.717 2.278 . . . . 0.0 112.283 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 130.22 11.82 2.44 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.422 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 3.0 t -118.94 167.92 11.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.781 0.324 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -110.15 113.75 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 107.81 -164.52 12.91 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.486 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.47 141.77 39.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 111.135 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 75.9 m -101.46 132.01 47.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.125 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.434 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 10.9 pt20 -108.62 139.8 42.89 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.922 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.484 HD11 HG13 ' A' ' 26' ' ' VAL . 7.9 tp -118.73 143.16 47.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -121.26 131.97 54.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.426 ' CD2' HG22 ' A' ' 26' ' ' VAL . 43.8 mt -124.67 141.44 52.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.499 HG22 ' N ' ' A' ' 104' ' ' VAL . 55.2 m -137.29 158.54 44.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.499 ' N ' HG22 ' A' ' 103' ' ' THR . 58.2 t -89.55 136.4 23.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.108 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 6.8 m -114.84 134.55 57.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -120.14 -28.99 4.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -64.84 -69.14 0.31 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.581 HG22 HG23 ' A' ' 109' ' ' THR . 4.3 p -58.51 -52.01 64.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.105 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.581 HG23 HG22 ' A' ' 108' ' ' VAL . 35.0 p -134.96 135.85 41.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.162 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.413 HG22 ' H ' ' A' ' 110' ' ' VAL . 4.2 m -89.12 154.42 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 145.65 40.96 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.542 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.613 ' HD2' HG23 ' A' ' 116' ' ' VAL . 8.4 tpt180 -50.43 -63.26 1.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.821 0.343 . . . . 0.0 110.866 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 -56.94 4.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.888 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 tp-100 -45.49 -59.9 2.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.445 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -57.03 -60.46 3.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.613 HG23 ' HD2' ' A' ' 112' ' ' ARG . 75.2 t -44.6 -33.41 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.189 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -75.32 -43.71 49.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.126 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.537 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 52.3 t90 -62.65 -39.96 95.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.9 mt -60.25 -51.96 67.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.931 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.4 p -70.65 -33.21 52.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.121 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.03 -30.04 68.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.085 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.581 ' CE ' HD11 ' A' ' 48' ' ' LEU . 6.6 tpt -76.66 -46.62 25.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.566 ' HB3' HD11 ' A' ' 68' ' ' ILE . 4.2 t60 -64.26 -49.53 71.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 24.4 mtmt -54.01 -36.23 62.76 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -87.05 -27.5 23.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.093 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.67 -46.15 63.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.133 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -69.09 -34.04 74.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.77 -35.8 71.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.891 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 11.4 mt -65.07 -47.05 78.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.455 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -81.62 -63.04 1.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -50.75 -24.9 3.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.902 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.5 t -138.11 133.05 32.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.866 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -124.35 168.97 12.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.873 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -102.03 79.88 1.93 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -81.2 88.85 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 63.7 m 54.66 44.05 29.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 62.7 68.15 1.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.533 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 160.79 48.41 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.725 2.283 . . . . 0.0 112.322 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 25.4 m -132.18 146.33 51.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 89.7 p -166.4 138.18 3.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -163.73 175.87 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.892 0.377 . . . . 0.0 110.835 -179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.7 t -42.46 -55.24 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.28 43.57 6.56 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -51.63 137.44 24.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.927 0.394 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.7 p -70.86 125.57 27.2 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.32 84.79 0.73 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -129.39 89.51 2.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.718 0.294 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -78.39 -50.27 12.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.949 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -48.28 -55.64 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.766 ' CE2' HD21 ' A' ' 15' ' ' LEU . 58.8 t80 -62.44 -51.97 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -44.26 -43.42 7.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.5 mtpp -64.64 -50.25 67.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -52.5 -31.51 35.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.766 HD21 ' CE2' ' A' ' 11' ' ' TYR . 76.7 mt -54.06 -58.92 5.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 8.4 pttm -64.32 -39.05 93.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.885 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 93.2 t -59.65 -41.29 84.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.115 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.451 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.2 mt -67.31 -58.98 3.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' O ' ' C ' ' A' ' 20' ' ' SER . 26.2 mt -54.43 -47.61 72.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 19' ' ' LEU . 17.5 t -34.51 -48.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.37 124.16 2.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.537 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -120.61 157.16 30.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.844 0.354 . . . . 0.0 111.094 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 28.5 m -87.89 146.62 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.119 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.528 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 71.7 m-85 -155.96 157.73 36.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.455 HD23 ' HA ' ' A' ' 25' ' ' LEU . 11.3 mt -84.51 116.51 23.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 64.5 t -102.24 122.72 54.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.0 m -102.91 120.17 40.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.141 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -97.36 129.93 44.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -39.68 -35.12 0.54 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t30 -70.94 -46.47 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.848 0.356 . . . . 0.0 110.923 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 22.8 t -92.4 133.88 35.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 -76.75 -28.42 55.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.4 ttmm -106.15 134.45 19.76 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.558 0.694 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 168.48 21.43 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -132.43 149.6 52.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.922 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.3 m -67.0 106.35 1.91 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.159 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.7 mtp -131.43 147.23 52.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.938 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.3 m -97.32 132.46 43.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.168 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -116.16 126.98 54.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -141.09 167.17 22.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.859 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.467 ' CD2' HD11 ' A' ' 60' ' ' ILE . 7.0 mt -103.0 167.76 9.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -85.19 175.86 8.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.846 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -46.33 -55.87 6.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -94.46 18.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 47.94 48.56 17.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -113.26 -8.09 13.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -145.78 147.12 31.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.904 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 16.1 mt -104.51 138.2 41.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.931 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -121.21 141.38 50.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 41.8 mt -123.3 138.45 54.62 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.949 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -118.43 144.17 46.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.847 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 143.58 -138.45 8.15 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -38.6 -37.35 0.31 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.803 0.335 . . . . 0.0 110.851 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -156.75 158.82 37.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.854 -179.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.575 ' CD2' ' H ' ' A' ' 55' ' ' HIS . 0.2 OUTLIER -85.68 96.02 9.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -99.03 159.13 15.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -147.59 113.51 5.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.862 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.441 HD13 HD22 ' A' ' 100' ' ' LEU . 24.5 mt -99.98 99.96 9.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.603 ' HB3' HG22 ' A' ' 61' ' ' VAL . 36.2 mp0 -63.58 110.37 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.855 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.506 ' HA ' HD12 ' A' ' 63' ' ' ILE . 53.8 mt -49.53 -34.76 8.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.147 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.603 HG22 ' HB3' ' A' ' 59' ' ' GLU . 29.3 m -56.68 -29.81 30.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -82.81 -39.18 22.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.512 HG23 ' O ' ' A' ' 88' ' ' GLN . 63.8 mt -49.35 132.67 7.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 7.6 t -102.82 -59.67 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.882 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 33.1 m -103.97 138.51 40.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.141 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG13 HD23 ' A' ' 87' ' ' LEU . 83.9 t -134.98 101.03 3.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 18.7 pt20 -129.26 160.43 32.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.462 HG23 ' O ' ' A' ' 84' ' ' GLY . 93.1 mt -110.37 137.68 41.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.478 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 17.9 mt -91.8 139.05 31.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.923 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 34.8 p -131.43 139.39 49.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.191 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -83.99 135.48 34.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 107.76 -65.32 0.25 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.491 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.439 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 5.9 t80 72.25 54.2 0.34 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.672 0.749 . . . . 0.0 110.899 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.439 ' CD ' ' N ' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.79 166.46 27.56 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.334 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 1.22 4.62 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.349 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 174.54 49.69 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 71.79 139.92 0.27 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.511 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' N ' ' HG3' ' A' ' 74' ' ' PRO . . . -131.84 64.8 0.6 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.509 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.0 t30 59.7 42.23 17.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.876 0.37 . . . . 0.0 110.899 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -148.21 128.02 13.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.128 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.43 ' HD3' ' N ' ' A' ' 81' ' ' ARG . 0.0 OUTLIER -89.33 -60.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 -179.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.555 ' O ' HD12 ' A' ' 119' ' ' LEU . . . -165.43 117.66 1.14 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.104 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 t -98.95 -28.28 13.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.139 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.462 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -136.18 -158.21 8.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.465 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 4.2 ttm -166.47 150.56 7.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.83 0.348 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -135.79 104.99 5.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.6 HD12 HD23 ' A' ' 100' ' ' LEU . 7.6 mt -108.73 150.46 27.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 63' ' ' ILE . 34.6 mt-30 -127.77 132.23 49.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 24.6 p90 -152.24 159.94 43.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.915 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.498 HG22 HG22 ' A' ' 97' ' ' VAL . 40.9 p -104.82 148.8 26.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.111 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.692 HG13 ' HD2' ' A' ' 92' ' ' PRO . 97.8 t -108.4 139.14 20.49 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.581 0.705 . . . . 0.0 111.122 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.692 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.74 116.82 4.73 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.666 2.244 . . . . 0.0 112.371 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 98.92 -47.56 1.38 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.492 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 99.8 m -68.2 136.62 53.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 111.108 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -87.22 120.94 29.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.872 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 115.12 173.0 17.54 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.498 HG22 HG22 ' A' ' 90' ' ' THR . 85.8 t -109.08 138.9 34.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.905 0.383 . . . . 0.0 111.138 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.3 m -104.42 140.98 37.15 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -112.85 158.86 19.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.907 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.6 HD23 HD12 ' A' ' 87' ' ' LEU . 16.2 tp -128.27 114.29 16.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.478 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 38.1 tttt -104.64 114.84 29.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 75.9 mt -105.69 136.89 44.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.8 m -144.03 126.45 15.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.164 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.556 HG11 ' HD3' ' A' ' 112' ' ' ARG . 92.7 t -70.74 132.84 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.5 p -95.85 139.07 19.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.445 ' O ' ' C ' ' A' ' 107' ' ' ASP . 17.7 mt-10 -76.46 -38.63 55.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 106' ' ' GLU . 42.1 t0 -33.58 -63.61 0.24 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.5 t -48.94 146.84 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 47.9 p -43.38 161.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.7 t -52.82 107.88 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.104 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -153.73 39.42 0.69 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.491 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.556 ' HD3' HG11 ' A' ' 104' ' ' VAL . 5.1 mmt85 -72.55 -49.93 29.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 110.864 -179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -45.58 -46.36 14.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.501 ' C ' ' CD ' ' A' ' 114' ' ' GLN . 1.5 tm0? -61.91 -71.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.478 ' HB1' ' CE1' ' A' ' 24' ' ' PHE . . . -43.42 -59.8 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.109 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.555 HG23 ' O ' ' A' ' 112' ' ' ARG . 64.8 t -46.47 -39.28 3.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.139 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.431 ' HB3' ' O ' ' A' ' 114' ' ' GLN . . . -62.36 -37.86 87.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.451 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 56.5 t90 -68.46 -53.33 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.555 HD12 ' O ' ' A' ' 82' ' ' ALA . 71.4 mt -44.48 -58.69 2.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.901 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.434 HG12 ' O ' ' A' ' 116' ' ' VAL . 5.0 p -60.25 -42.78 91.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.157 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.404 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -54.89 -59.63 4.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.442 ' N ' HD21 ' A' ' 18' ' ' LEU . 9.5 tpt -40.67 -54.71 2.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.826 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 11.1 t-160 -60.19 -57.09 14.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -39.43 -58.56 1.22 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.893 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -67.11 -44.05 80.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.124 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.589 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -47.86 -27.53 2.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.045 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 131' ' ' GLU . 17.6 mtpt -66.23 -58.49 5.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 19.0 mt -42.25 -46.02 4.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.589 HD12 ' HA ' ' A' ' 126' ' ' ALA . 3.4 mt -39.91 -59.68 1.15 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -104.08 -59.83 1.67 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.42 ' N ' ' O ' ' A' ' 127' ' ' LYS . 6.2 mm-40 -42.79 155.4 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.935 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -127.78 159.81 33.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.2 mmt180 -107.12 142.12 37.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -110.44 -56.53 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.403 ' O ' ' C ' ' A' ' 136' ' ' SER . 85.4 mm-40 -119.08 -47.94 2.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.946 -179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 135' ' ' GLN . 20.7 m -37.11 131.32 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -105.82 -95.45 2.4 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 168.31 21.9 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.698 2.265 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 55.4 p -80.38 -42.99 21.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 44.5 t -138.51 139.81 38.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.83 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.468 179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.6 p -62.18 -61.46 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 0.0 110.828 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.6 p -56.32 148.72 18.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.22 -99.58 0.18 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 t -49.9 -46.13 51.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.875 0.369 . . . . 0.0 110.883 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.9 t -84.11 147.78 27.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.554 ' O ' ' HB3' ' A' ' 8' ' ' ALA . . . 113.34 132.92 5.69 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.508 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.554 ' HB3' ' O ' ' A' ' 7' ' ' GLY . . . 74.74 46.67 0.13 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.716 0.293 . . . . 0.0 111.074 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -50.98 -28.14 9.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -70.09 -28.7 65.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -93.08 -29.21 15.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.955 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -55.09 -34.65 63.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.911 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 46.2 mttt -49.17 -38.22 25.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.8 mm-40 -84.36 -37.99 20.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.891 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 57.6 mt -56.13 -51.9 66.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -54.55 -37.4 65.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 19.4 t -62.77 -43.29 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.16 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.618 HD23 ' CD1' ' A' ' 118' ' ' TRP . 16.4 mt -62.99 -58.8 6.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.8 mt -39.53 -59.65 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.0 t -40.32 -45.79 2.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.847 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.56 146.46 12.55 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.517 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.46 178.5 6.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.863 0.363 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.7 m -102.75 147.47 26.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.181 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 26.9 m-85 -156.09 171.0 20.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.879 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 34' ' ' PRO . 32.1 mt -107.47 118.5 36.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.916 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 61.2 t -102.34 136.0 36.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.107 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 16.0 m -123.76 111.78 16.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.162 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -86.77 143.94 27.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.858 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.48 -40.44 2.78 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -74.78 -40.8 60.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m -84.0 120.11 25.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -86.35 -13.73 45.61 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.852 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -109.83 136.1 20.39 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 110.913 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.54 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.9 Cg_endo -69.8 145.36 56.69 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -123.02 146.11 47.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.3 m -73.04 111.96 8.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.146 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 68.4 mtp -134.19 147.83 50.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 97.6 m -93.06 140.69 29.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.145 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 59.8 m -125.71 124.24 40.64 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -144.77 166.79 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.486 HD12 HD22 ' A' ' 18' ' ' LEU . 5.6 mt -103.25 167.85 9.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.7 p -80.6 178.01 8.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 70.4 m-20 -52.54 -42.36 64.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 38.5 t30 -102.16 3.3 38.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.919 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.554 ' O ' HD11 ' A' ' 129' ' ' LEU . 33.9 mt-30 64.93 30.55 11.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 53.0 mtp85 -99.14 -2.42 36.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -146.01 161.88 39.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 49.4 mt -123.2 131.84 53.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.893 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -115.24 150.82 35.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.569 HD12 ' HB3' ' A' ' 56' ' ' TYR . 8.2 mt -132.2 150.72 52.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.923 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -133.6 137.45 45.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.874 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 167.98 -131.34 2.3 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.481 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -46.83 -38.53 10.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -151.67 178.75 9.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.498 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 15.7 p80 -83.27 115.61 22.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.569 ' HB3' HD12 ' A' ' 50' ' ' LEU . 11.1 m-85 -122.62 145.09 48.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.94 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -147.63 112.74 5.5 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.541 HD12 HD11 ' A' ' 50' ' ' LEU . 55.4 mt -107.98 104.74 17.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.531 ' HB3' HG22 ' A' ' 61' ' ' VAL . 43.6 mt-10 -64.7 153.91 38.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.949 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.423 ' O ' HG22 ' A' ' 60' ' ' ILE . 47.3 mt -82.84 -15.2 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.531 HG22 ' HB3' ' A' ' 59' ' ' GLU . 15.6 m -65.88 -47.22 86.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.106 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.474 ' N ' HG23 ' A' ' 61' ' ' VAL . 50.7 m-70 -64.65 -56.45 13.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 88' ' ' GLN . 2.2 mt -32.11 147.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.123 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.5 t -124.01 -38.61 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 93.1 m -126.18 142.24 51.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.172 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.485 HG13 ' CD2' ' A' ' 87' ' ' LEU . 95.1 t -141.08 111.28 3.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.149 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 20.4 pt20 -136.49 150.47 48.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.608 HD11 ' CB ' ' A' ' 123' ' ' HIS . 31.7 mt -95.72 139.3 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD21 ' HB2' ' A' ' 86' ' ' PHE . 92.4 mt -89.78 120.87 31.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.923 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.594 HG22 ' HA ' ' A' ' 82' ' ' ALA . 23.8 p -123.97 168.49 12.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -153.09 127.04 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 74' ' ' PRO . . . 71.9 83.91 0.23 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -105.89 89.47 3.64 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.659 0.743 . . . . 0.0 110.887 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HD3' ' O ' ' A' ' 72' ' ' GLY . 53.4 Cg_endo -69.79 160.19 50.59 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.303 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -18.42 36.81 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.655 2.237 . . . . 0.0 112.35 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -109.03 -143.24 10.14 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.15 169.43 27.74 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.491 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -167.51 111.33 0.44 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -72.25 -57.02 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.857 0.36 . . . . 0.0 110.912 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -89.8 87.48 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.121 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.4 ttm180 -92.25 -66.95 0.89 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.594 ' HA ' HG22 ' A' ' 70' ' ' THR . . . -79.1 122.54 26.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.099 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.2 p -122.37 30.92 6.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.138 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.454 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 153.92 -168.75 32.41 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.466 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.7 ' HB3' HD12 ' A' ' 102' ' ' LEU . 1.8 tpt -153.39 146.35 24.49 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.353 . . . . 0.0 110.852 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.576 ' HB2' HD21 ' A' ' 69' ' ' LEU . 7.9 t80 -129.16 111.33 12.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.485 ' CD2' HG13 ' A' ' 66' ' ' VAL . 16.4 mt -118.71 141.72 48.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.519 ' O ' HG23 ' A' ' 63' ' ' ILE . 22.0 mt-30 -121.35 132.91 55.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.455 ' CE2' HD13 ' A' ' 58' ' ' ILE . 13.2 p90 -152.76 147.58 26.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.925 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.7 p -101.6 148.88 24.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.144 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.581 HG13 ' HD2' ' A' ' 92' ' ' PRO . 89.7 t -110.31 136.76 20.52 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.589 0.709 . . . . 0.0 111.102 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.581 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.2 Cg_endo -69.72 121.48 8.18 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.657 2.238 . . . . 0.0 112.371 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 116.22 -47.1 1.07 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -83.49 167.16 17.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 0.0 111.148 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -114.59 111.0 20.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 136.31 -172.06 22.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.465 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.1 t -124.35 137.22 57.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.7 m -104.37 147.36 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -126.53 145.44 50.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.418 HD13 ' OH ' ' A' ' 89' ' ' TYR . 5.9 tp -123.13 122.37 38.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -103.17 141.91 35.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.7 HD12 ' HB3' ' A' ' 85' ' ' MET . 62.9 mt -127.35 141.22 51.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 47.6 m -142.56 144.06 32.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.743 HG11 ' HD3' ' A' ' 112' ' ' ARG . 74.5 t -67.76 131.18 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.471 HG11 HG23 ' A' ' 108' ' ' VAL . 68.9 t -62.26 141.22 18.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.099 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -106.24 -27.81 10.81 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.924 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -58.54 -47.44 84.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.839 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.471 HG23 HG11 ' A' ' 105' ' ' VAL . 91.9 t -56.38 138.84 16.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.105 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.5 m -41.7 -70.42 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.168 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.4 t -143.18 136.26 25.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.097 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 178.7 47.4 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.464 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.743 ' HD3' HG11 ' A' ' 104' ' ' VAL . 12.0 tpp85 -90.8 -64.94 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.831 0.348 . . . . 0.0 110.829 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 112' ' ' ARG . 0.9 OUTLIER -36.99 -58.19 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 -179.857 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.479 ' OE1' ' HB2' ' A' ' 22' ' ' ALA . 0.7 OUTLIER -47.86 -70.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 -179.943 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -43.65 -53.88 5.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.604 ' HA ' HD12 ' A' ' 119' ' ' LEU . 82.6 t -51.97 -44.97 39.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.114 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.94 -50.16 74.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.618 ' CD1' HD23 ' A' ' 18' ' ' LEU . 26.2 t90 -59.45 -33.9 71.86 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.604 HD12 ' HA ' ' A' ' 116' ' ' VAL . 89.0 mt -63.26 -58.7 6.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 62.6 t -63.87 -46.06 95.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.159 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -54.87 -49.26 71.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.076 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.485 ' HB2' HD21 ' A' ' 18' ' ' LEU . 0.8 OUTLIER -51.3 -67.98 0.21 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.893 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.608 ' CB ' HD11 ' A' ' 68' ' ' ILE . 56.1 t-80 -48.35 -53.65 16.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.887 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -42.38 -60.98 1.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -60.47 -38.21 83.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.11 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.453 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -49.52 -31.52 10.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -65.94 -38.46 88.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 12.5 mt -67.47 -36.57 81.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.554 HD11 ' O ' ' A' ' 45' ' ' GLN . 12.4 mt -54.41 -49.24 70.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.907 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.2 OUTLIER -83.8 -52.41 6.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -75.74 -179.15 4.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 14.4 t -85.06 -175.95 5.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -83.24 160.09 21.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -52.04 100.47 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -66.44 -45.58 79.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 5.2 m -122.91 114.51 20.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.863 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.66 140.83 33.07 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.495 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -16.5 37.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.724 2.282 . . . . 0.0 112.335 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 4.4 m -87.68 163.2 16.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.863 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 69.3 m -113.88 141.87 46.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.849 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.471 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -95.19 80.37 3.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.871 0.367 . . . . 0.0 110.864 -179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.8 m -121.85 -61.97 1.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.97 104.93 0.26 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.446 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.1 p -83.32 97.5 8.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.85 0.357 . . . . 0.0 110.892 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.0 m -120.76 145.12 47.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.67 111.72 3.49 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.469 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -109.66 36.6 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.754 0.311 . . . . 0.0 111.09 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -61.05 -26.57 67.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -77.76 -54.77 5.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 85.8 t80 -64.58 -11.53 35.74 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.92 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.54 ' HA ' HD23 ' A' ' 15' ' ' LEU . 73.0 m-20 -83.87 -15.54 47.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.841 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -80.3 -33.67 37.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.89 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' CD ' ' N ' ' A' ' 14' ' ' GLN . 1.7 mp0 -78.41 -39.61 38.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.678 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -67.0 -42.14 85.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.906 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.436 ' N ' HD12 ' A' ' 15' ' ' LEU . 13.7 pttp -66.56 -34.84 78.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 t -76.92 -40.4 31.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.121 179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.606 ' HB3' HD12 ' A' ' 41' ' ' LEU . 16.3 mt -61.25 -43.31 99.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.408 ' O ' ' C ' ' A' ' 20' ' ' SER . 83.5 mt -62.21 -55.51 27.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' LEU . 3.3 t -37.13 -43.92 0.52 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.63 131.69 5.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.436 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.585 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -121.82 150.64 41.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.869 0.366 . . . . 0.0 111.13 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.453 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 23.5 m -78.98 146.11 33.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.161 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.585 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 77.7 m-85 -158.88 155.54 27.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.787 HD22 ' HB2' ' A' ' 34' ' ' PRO . 33.7 mt -91.05 122.38 33.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 87.8 t -111.61 131.66 62.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.6 m -122.4 105.44 10.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.53 ' CZ ' ' CE2' ' A' ' 56' ' ' TYR . 96.9 m-85 -77.53 163.44 26.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.898 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -58.33 -29.61 63.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -84.68 -37.04 21.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.835 0.35 . . . . 0.0 110.887 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 122.35 33.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -86.05 -29.18 23.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 ttmm -93.62 138.47 22.88 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.787 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.75 140.48 42.81 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.663 2.242 . . . . 0.0 112.367 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -120.42 139.75 52.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.8 m -69.47 107.19 3.25 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.137 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 81.3 mtp -125.31 165.36 18.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.884 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 31.9 m -112.01 136.1 51.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.134 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.6 t -121.84 123.24 41.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.861 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -140.89 164.99 28.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.854 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.606 HD12 ' HB3' ' A' ' 18' ' ' LEU . 6.3 mt -103.67 166.11 10.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.889 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.4 t -76.64 177.93 7.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.839 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -45.9 -57.51 4.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.866 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 30.6 m-20 -97.27 16.45 19.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 33.7 mt-30 55.27 45.48 25.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.943 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -93.37 -13.91 27.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.547 ' O ' HD23 ' A' ' 41' ' ' LEU . 15.5 m-85 -153.37 170.05 21.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -117.89 147.14 43.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.943 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 11.7 m-85 -126.4 161.31 28.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 56' ' ' TYR . 16.6 mt -142.31 142.28 32.5 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -121.67 133.19 54.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.917 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 169.19 -137.11 4.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.48 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -42.3 -41.77 2.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.787 0.327 . . . . 0.0 110.85 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 68.1 m -151.64 166.03 32.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.4 m80 -68.78 95.46 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.554 ' HB3' HD12 ' A' ' 50' ' ' LEU . 7.4 m-85 -99.38 145.99 26.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.921 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.405 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 37.2 mt-10 -147.09 129.66 15.95 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.904 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.518 ' CD1' HD11 ' A' ' 50' ' ' LEU . 58.0 mt -116.22 101.53 12.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' HB3' HG22 ' A' ' 61' ' ' VAL . 2.2 mp0 -66.76 122.03 16.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.666 HG21 HD13 ' A' ' 129' ' ' LEU . 70.8 mt -59.08 -37.13 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.491 HG22 ' HB3' ' A' ' 59' ' ' GLU . 27.5 m -56.56 -22.58 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -92.61 -39.19 11.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.831 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.57 HG23 ' O ' ' A' ' 88' ' ' GLN . 69.6 mt -44.07 124.68 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.092 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 31.1 t -98.47 -51.71 3.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.84 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 81.3 m -104.5 148.45 26.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.152 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.559 HG13 ' CD2' ' A' ' 87' ' ' LEU . 76.8 t -150.78 105.15 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -138.46 159.51 41.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.928 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.453 HD11 ' HB2' ' A' ' 123' ' ' HIS . 63.5 mt -100.96 145.93 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.569 HD21 ' HB2' ' A' ' 86' ' ' PHE . 79.8 mt -104.09 134.13 47.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.94 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 58.3 p -125.68 114.56 18.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.132 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -102.25 162.21 13.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.897 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.48 -98.25 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -70.21 146.26 94.44 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.603 0.716 . . . . 0.0 110.889 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 169.9 17.79 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.688 2.258 . . . . 0.0 112.339 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -16.53 37.53 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.687 2.258 . . . . 0.0 112.316 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -77.05 -169.88 32.19 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -42.92 149.27 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.525 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 143.08 147.65 4.78 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -41.08 -37.78 0.92 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.837 0.351 . . . . 0.0 110.849 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -106.69 139.67 40.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.058 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.8 mmt85 -120.1 -59.09 1.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -126.01 118.06 24.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.717 HG22 ' O ' ' A' ' 83' ' ' THR . 72.2 m -121.74 40.0 3.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.17 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 164.45 173.22 32.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.451 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.413 ' HB3' HD12 ' A' ' 102' ' ' LEU . 5.3 ttt -153.9 132.24 11.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.569 ' HB2' HD21 ' A' ' 69' ' ' LEU . 8.8 t80 -118.89 116.76 27.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.559 ' CD2' HG13 ' A' ' 66' ' ' VAL . 11.3 mt -128.02 167.61 16.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.57 ' O ' HG23 ' A' ' 63' ' ' ILE . 57.6 mt-30 -144.14 146.27 32.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 14.4 p90 -149.64 152.59 35.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.642 HG22 HG22 ' A' ' 97' ' ' VAL . 42.4 p -103.17 130.5 50.39 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.615 HG12 ' H ' ' A' ' 93' ' ' GLY . 15.2 t -112.0 126.17 28.94 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.656 0.741 . . . . 0.0 111.161 179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 3.33 2.83 Favored 'Trans proline' 0 N--CA 1.465 -0.182 0 C-N-CA 122.743 2.295 . . . . 0.0 112.372 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.615 ' H ' HG12 ' A' ' 91' ' ' VAL . . . -109.96 7.55 31.25 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.498 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.5 t -138.19 178.65 6.97 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.79 0.329 . . . . 0.0 111.109 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -112.3 109.04 18.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.922 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.77 -151.88 17.05 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.438 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.642 HG22 HG22 ' A' ' 90' ' ' THR . 58.7 t -122.98 148.85 26.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.894 0.378 . . . . 0.0 111.13 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 86.1 m -118.7 142.51 47.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.416 ' H ' ' CD ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -108.38 169.03 8.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 tp -139.63 130.15 25.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.7 tppt? -112.26 119.28 37.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.911 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.413 HD12 ' HB3' ' A' ' 85' ' ' MET . 32.7 mt -114.07 136.31 53.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.873 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.4 m -143.93 144.12 31.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.183 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.46 125.41 24.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.067 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.544 HG13 ' OD2' ' A' ' 107' ' ' ASP . 60.0 t -47.65 134.9 4.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -115.84 -35.87 4.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.881 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.544 ' OD2' HG13 ' A' ' 105' ' ' VAL . 0.9 OUTLIER -40.76 -48.6 3.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.881 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.518 HG12 ' OD1' ' A' ' 107' ' ' ASP . 13.9 p -130.52 143.53 40.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.182 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 79.5 m -57.26 133.53 55.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.161 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.457 ' O ' ' N ' ' A' ' 112' ' ' ARG . 27.3 m -138.45 177.61 5.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.123 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -61.83 76.16 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.497 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 110' ' ' VAL . 0.1 OUTLIER -49.65 -53.96 21.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.777 0.322 . . . . 0.0 110.892 -179.877 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.422 ' HG3' ' N ' ' A' ' 114' ' ' GLN . 7.8 ptt-85 -51.93 -48.04 64.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.813 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.422 ' N ' ' HG3' ' A' ' 113' ' ' ARG . 17.6 tp60 -59.22 -64.54 0.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -45.14 -68.55 0.19 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.788 ' HA ' HD12 ' A' ' 119' ' ' LEU . 88.9 t -40.3 -41.85 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.156 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.18 -50.07 65.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.12 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.51 ' O ' ' CE3' ' A' ' 118' ' ' TRP . 10.6 t90 -54.51 -32.89 58.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.966 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.788 HD12 ' HA ' ' A' ' 116' ' ' VAL . 22.0 mt -66.09 -60.61 2.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -65.29 -26.16 38.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -69.94 -43.95 70.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.07 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.2 tpt -58.47 -47.72 83.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.9 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.453 ' HB2' HD11 ' A' ' 68' ' ' ILE . 25.6 t-80 -58.28 -59.94 4.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.863 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -39.03 -63.04 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.425 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -59.81 -50.86 72.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.091 179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.909 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -36.99 -46.14 0.62 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 131' ' ' GLU . 3.2 mmmp? -53.31 -44.84 68.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.425 ' N ' ' O ' ' A' ' 125' ' ' ALA . 34.3 mt -55.21 -49.42 71.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.909 HD12 ' HA ' ' A' ' 126' ' ' ALA . 10.3 mt -40.0 -61.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.957 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 1.5 p90 -96.6 -63.1 1.17 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 127' ' ' LYS . 9.3 mt-10 -67.73 159.45 30.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.889 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 22.6 t 46.85 50.51 13.46 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.9 161.39 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -101.12 120.4 40.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -71.92 -44.4 63.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.906 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 90.0 p -142.53 149.99 39.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 147.15 -117.13 0.89 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.464 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 139' ' ' SER . 54.0 Cg_endo -69.68 -0.47 6.89 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.37 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 138' ' ' PRO . 4.9 t -35.38 123.18 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.848 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.1 t 48.92 48.08 20.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.886 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.515 -179.963 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 m -114.97 -51.05 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.921 0.391 . . . . 0.0 110.882 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -100.85 95.46 6.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.38 -178.2 15.47 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.512 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -127.02 42.41 3.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.859 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.6 t -128.67 144.13 51.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.84 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.78 91.42 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.459 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . -100.36 76.69 1.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 111.112 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.459 ' C ' ' O ' ' A' ' 8' ' ' ALA . 1.5 pp20? -33.93 -53.38 0.46 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.9 t80 -41.43 -55.58 2.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.509 ' CE2' HD21 ' A' ' 15' ' ' LEU . 29.6 t80 -72.61 -44.73 61.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.934 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.474 ' O ' ' N ' ' A' ' 15' ' ' LEU . 16.0 m-20 -48.89 -63.72 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.908 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -39.81 -43.68 1.48 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.949 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -63.1 -36.98 85.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.509 HD21 ' CE2' ' A' ' 11' ' ' TYR . 72.8 mt -51.63 -70.25 0.09 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.0 pttt -41.96 -43.38 3.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.863 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 71.4 t -59.42 -53.96 40.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.099 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.623 ' HB3' HD12 ' A' ' 41' ' ' LEU . 34.6 mt -58.11 -57.65 11.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.4 mt -50.91 -52.41 42.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.4 m -43.77 -43.54 6.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.39 137.69 5.93 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.46 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.624 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -129.04 138.41 51.88 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.5 m -70.32 138.61 51.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.624 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 99.5 m-85 -145.89 153.11 40.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.895 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.442 ' HG ' ' CG1' ' A' ' 105' ' ' VAL . 17.8 mt -87.32 103.79 15.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.691 HG13 ' HG ' ' A' ' 100' ' ' LEU . 46.9 t -93.82 134.27 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 31' ' ' SER . 2.5 m -111.42 95.85 5.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.17 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -53.05 -178.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -75.18 122.39 6.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.472 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 m120 72.36 36.85 1.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.825 0.345 . . . . 0.0 110.883 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.487 ' O ' ' CG2' ' A' ' 27' ' ' THR . 13.2 t -121.87 90.97 3.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.6 pm0 -58.46 -14.97 9.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.5 ttmm -110.91 131.22 22.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.539 0.685 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.433 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.77 155.86 64.79 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.696 2.264 . . . . 0.0 112.33 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -122.21 144.89 48.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 5.9 m -87.63 112.25 22.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 28.9 mtp -141.66 148.67 39.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 10.7 m -94.61 121.3 36.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.168 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -108.28 109.34 20.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.882 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 23.7 ptt180 -127.14 166.33 17.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.4 mt -103.57 152.5 21.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.2 m -69.55 175.34 4.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.834 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -50.48 -42.45 54.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 77.9 m-20 -103.19 20.3 17.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 10.9 mp0 40.57 44.62 1.81 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -104.51 -18.26 14.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -144.28 152.58 40.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.891 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.3 mt -108.25 155.3 20.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.89 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -137.67 148.43 45.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.601 HD11 HD11 ' A' ' 58' ' ' ILE . 62.7 mt -116.52 150.62 37.64 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -142.39 116.51 9.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.826 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 175.22 -124.34 1.0 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -44.55 -47.32 10.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.779 0.323 . . . . 0.0 110.833 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -147.45 150.17 34.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.839 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -62.21 100.57 0.18 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.908 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.597 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.9 m-85 -116.83 163.51 16.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.854 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.481 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 0.8 OUTLIER -156.55 132.48 9.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.601 HD11 HD11 ' A' ' 50' ' ' LEU . 18.3 mt -113.29 100.03 9.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.717 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.8 pm0 -73.03 127.2 31.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 81.3 mt -58.0 -20.95 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.12 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.717 HG22 ' HB2' ' A' ' 59' ' ' GLU . 34.1 m -59.05 -31.01 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' O ' ' C ' ' A' ' 63' ' ' ILE . 8.2 m-70 -89.25 -51.97 5.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.811 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.455 ' C ' ' O ' ' A' ' 62' ' ' HIS . 16.0 mt -33.83 140.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.122 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.9 t -118.24 -60.72 1.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 84.8 m -104.37 136.08 44.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.139 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.659 HG13 HD23 ' A' ' 87' ' ' LEU . 91.1 t -141.0 106.2 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.09 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 67' ' ' GLN . 0.9 OUTLIER -134.57 157.88 45.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.924 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.545 HG22 HG23 ' A' ' 70' ' ' THR . 82.7 mt -94.48 135.89 27.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.636 HD11 ' HD2' ' A' ' 101' ' ' LYS . 60.4 mt -78.81 101.78 7.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.938 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.545 HG23 HG22 ' A' ' 68' ' ' ILE . 71.5 p -129.55 117.39 20.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.173 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -46.31 -60.76 2.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.907 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 146.87 72.2 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.45 ' N ' ' CD ' ' A' ' 74' ' ' PRO . 20.0 t80 38.95 53.93 4.57 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.66 0.743 . . . . 0.0 110.886 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' CD ' ' N ' ' A' ' 73' ' ' PHE . 53.9 Cg_endo -69.74 158.85 55.56 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.645 2.23 . . . . 0.0 112.383 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 143.81 52.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 167.6 166.12 26.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -65.72 -68.63 1.59 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -69.34 -169.78 6.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.42 83.21 2.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.869 -179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.19 85.09 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.3 tpm_? -56.98 -56.18 25.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -131.8 111.34 11.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.11 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 11.1 t -104.72 24.2 12.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.124 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.485 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 166.01 169.61 29.84 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.477 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.744 ' HB2' HD22 ' A' ' 119' ' ' LEU . 0.8 OUTLIER -144.69 155.7 43.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.846 0.355 . . . . 0.0 110.874 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 8.5 t80 -132.92 133.38 43.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.659 HD23 HG13 ' A' ' 66' ' ' VAL . 3.9 mt -140.11 120.16 13.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.88 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.0 mt-30 -105.35 141.07 37.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.92 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 15.2 p90 -152.44 142.02 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.795 HG22 HG22 ' A' ' 97' ' ' VAL . 62.1 p -94.19 136.2 34.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.189 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.514 HG13 ' HD2' ' A' ' 92' ' ' PRO . 79.3 t -107.18 135.25 19.65 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.64 0.733 . . . . 0.0 111.124 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.514 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.7 Cg_endo -69.77 -46.43 1.22 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.325 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -84.8 37.5 2.96 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.449 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.487 HG22 ' N ' ' A' ' 95' ' ' GLU . 93.3 m -155.77 157.01 35.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.773 0.32 . . . . 0.0 111.086 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.487 ' N ' HG22 ' A' ' 94' ' ' THR . 5.6 pt-20 -102.16 110.38 22.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 109.44 -176.73 19.73 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.491 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.795 HG22 HG22 ' A' ' 90' ' ' THR . 72.0 t -104.94 143.44 16.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.858 0.361 . . . . 0.0 111.136 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 61.1 m -107.35 142.12 37.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.141 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.456 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 10.0 mt-30 -112.9 157.22 21.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.881 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.691 ' HG ' HG13 ' A' ' 26' ' ' VAL . 1.5 tp -136.43 117.32 14.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.957 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.636 ' HD2' HD11 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -101.29 142.96 31.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.848 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.533 ' CD2' HG22 ' A' ' 26' ' ' VAL . 58.7 mt -130.85 139.57 50.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.9 m -142.92 140.76 31.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.166 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.439 HG11 ' CG ' ' A' ' 112' ' ' ARG . 89.0 t -69.47 133.03 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.144 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.442 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 27.1 m -106.93 173.69 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.106 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -130.95 -35.38 1.41 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 18.5 p-10 -43.05 -42.97 4.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.537 HG13 ' N ' ' A' ' 109' ' ' THR . 14.4 p -106.04 -46.42 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.174 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.71 HG22 ' H ' ' A' ' 111' ' ' GLY . 40.9 m -76.75 145.1 38.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.127 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 14.5 m -126.53 15.0 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.71 ' H ' HG22 ' A' ' 109' ' ' THR . . . -155.0 96.86 0.16 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.467 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.439 ' CG ' HG11 ' A' ' 104' ' ' VAL . 2.9 ttm-85 -54.09 -46.19 72.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.78 0.324 . . . . 0.0 110.857 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 112' ' ' ARG . 24.2 mtp180 -36.99 -56.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -44.85 -62.77 1.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.907 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 118' ' ' TRP . . . -57.56 -61.95 2.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.434 ' HA ' HD12 ' A' ' 119' ' ' LEU . 58.1 t -39.36 -43.52 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.128 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.54 -39.45 93.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.069 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.575 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 39.8 t90 -63.69 -44.98 92.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.744 HD22 ' HB2' ' A' ' 85' ' ' MET . 13.2 mt -61.0 -52.65 64.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.421 HG13 ' N ' ' A' ' 121' ' ' ALA . 8.1 p -62.06 -41.21 90.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.07 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.481 ' HB3' HD21 ' A' ' 18' ' ' LEU . . . -64.59 -40.46 95.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.529 ' O ' ' HB2' ' A' ' 126' ' ' ALA . 10.6 tpt -58.01 -46.09 85.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 10.0 t-80 -61.64 -62.31 1.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -51.04 -55.0 19.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.05 -30.41 70.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.086 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 122' ' ' MET . . . -71.78 -34.93 69.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.102 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 131' ' ' GLU . 5.8 mtmp? -56.9 -59.98 4.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 17.5 mt -41.61 -47.97 3.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -51.86 -61.98 1.92 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.961 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -74.0 -63.0 1.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.458 ' N ' ' O ' ' A' ' 127' ' ' LYS . 29.7 mt-10 -39.75 146.14 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 17.5 m -166.67 172.21 10.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.65 172.21 5.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -135.36 157.35 47.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.914 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -51.28 -61.33 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.904 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.5 m -87.75 169.88 11.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.839 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 161.87 83.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.524 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 140.42 42.79 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.67 2.247 . . . . 0.0 112.382 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.7 p -58.72 106.5 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.823 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 1.4 t 39.0 42.23 0.64 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.443 -179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 p -130.58 -51.52 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.865 0.364 . . . . 0.0 110.858 -179.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -107.3 104.42 14.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.836 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.31 116.98 0.45 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.536 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -80.74 138.38 36.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.874 0.368 . . . . 0.0 110.893 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.3 t -123.82 82.78 2.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.49 -125.68 0.87 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 61.6 45.21 8.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.755 0.312 . . . . 0.0 111.084 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -44.24 -39.06 4.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -44.48 -58.53 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.877 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.754 ' CZ ' HD21 ' A' ' 15' ' ' LEU . 23.9 t80 -62.03 -39.26 91.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.965 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -54.57 -39.24 67.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.854 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.508 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.2 mmmm -55.29 -51.04 67.96 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.89 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.48 ' O ' HD12 ' A' ' 18' ' ' LEU . 6.3 mp0 -58.58 -34.1 70.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.949 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD21 ' CZ ' ' A' ' 11' ' ' TYR . 74.6 mt -68.21 -62.37 1.43 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.8 ptmt -53.34 -33.28 52.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.89 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 13' ' ' LYS . 62.2 t -75.99 -45.91 35.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.101 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.613 ' HB3' HD12 ' A' ' 41' ' ' LEU . 13.6 mt -61.42 -64.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 mt -41.5 -47.76 3.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 m -43.46 -50.63 6.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.06 137.9 8.47 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -127.51 -176.43 3.75 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.84 0.353 . . . . 0.0 111.126 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.4 m -110.5 143.06 41.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.493 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 9.8 m-85 -147.95 178.63 8.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.857 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.47 HD11 HG22 ' A' ' 105' ' ' VAL . 62.9 mt -112.2 108.97 18.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -97.18 132.21 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.154 179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -118.1 129.63 55.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 80.4 m-85 -103.63 146.6 28.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -43.75 -35.15 3.04 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.482 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -82.55 -37.73 24.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.815 0.341 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.5 m -87.82 100.46 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -69.84 -13.36 62.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.864 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.4 ttpt -109.74 138.18 20.6 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.542 0.687 . . . . 0.0 110.895 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 150.51 68.22 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.69 2.26 . . . . 0.0 112.351 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' OE1' ' CG ' ' A' ' 53' ' ' ASP . 42.7 tt0 -129.88 143.24 50.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 23.1 m -67.57 108.22 2.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.18 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.9 mtt -121.3 172.5 7.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.7 m -120.57 136.42 54.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.176 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' HB2' ' CE1' ' A' ' 24' ' ' PHE . 57.6 m -125.83 130.5 51.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 37.4 ptt85 -155.29 167.86 28.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.613 HD12 ' HB3' ' A' ' 18' ' ' LEU . 7.7 mt -102.95 169.78 8.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.5 p -92.84 178.12 5.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -48.1 -46.95 34.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' O ' ' C ' ' A' ' 45' ' ' GLN . 4.4 m120 -99.47 24.78 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.936 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.486 ' CA ' HD22 ' A' ' 41' ' ' LEU . 0.0 OUTLIER 31.29 39.46 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 44' ' ' ASN . 44.5 mtp180 -107.57 -2.99 19.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.891 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.458 ' CD1' ' OE2' ' A' ' 59' ' ' GLU . 54.9 m-85 -148.07 140.59 24.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 98.0 mt -105.16 143.57 33.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.919 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 83.7 m-85 -129.85 154.94 46.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.63 HD11 ' CD1' ' A' ' 58' ' ' ILE . 8.1 mt -129.84 160.09 34.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.95 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -143.66 132.43 22.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.863 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 156.56 -118.45 0.84 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLY . 8.7 m-20 -37.18 -45.8 0.66 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.848 0.356 . . . . 0.0 110.855 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.6 t -167.49 168.4 12.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 -179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -61.57 105.59 0.55 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.828 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.471 ' HB3' HD12 ' A' ' 50' ' ' LEU . 6.7 m-85 -121.45 146.52 46.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -144.05 131.94 21.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.63 ' CD1' HD11 ' A' ' 50' ' ' LEU . 37.7 mt -125.82 111.68 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' HB3' HG22 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -84.31 140.93 31.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.892 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 80.9 mt -65.19 -17.8 22.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.132 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.486 HG22 ' HB3' ' A' ' 59' ' ' GLU . 12.2 m -73.92 -16.71 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.136 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -101.1 -31.53 11.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.869 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.9 mt -56.76 122.08 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.144 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 66.8 m -88.8 -67.16 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . 0.453 HG22 ' N ' ' A' ' 66' ' ' VAL . 38.4 m -106.98 156.69 18.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.162 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.929 HG13 ' CD2' ' A' ' 87' ' ' LEU . 48.6 t -148.23 106.92 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.429 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 12.0 pt20 -129.8 155.71 45.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.909 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.4 mt -106.1 132.15 53.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 90.8 mt -81.75 145.33 30.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.4 p -140.91 108.6 5.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -104.74 117.79 34.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 133.44 102.71 0.8 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.515 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.498 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.4 m-85 -56.68 -60.09 10.37 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.613 0.72 . . . . 0.0 110.875 -179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.498 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.6 Cg_endo -69.73 148.89 66.29 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.246 . . . . 0.0 112.367 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 134.57 28.32 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.343 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -85.38 -44.9 6.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 122.05 107.2 1.96 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.41 -136.54 3.93 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.479 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.01 -61.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.804 0.335 . . . . 0.0 110.902 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -116.91 111.74 20.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 81' ' ' ARG . 0.2 OUTLIER -70.34 115.13 9.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.876 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.26 118.29 3.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 83' ' ' THR . 19.6 m -118.91 17.96 13.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 168.73 -174.57 43.36 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.463 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.405 ' HB3' HD12 ' A' ' 102' ' ' LEU . 2.3 ttm -151.53 143.58 23.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.872 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.439 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 31.8 t80 -130.45 100.03 5.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.929 ' CD2' HG13 ' A' ' 66' ' ' VAL . 12.3 mt -103.48 151.51 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -126.96 128.32 46.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 12.8 p90 -140.69 145.31 36.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 65.0 p -97.76 141.96 30.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.162 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 83.9 t -110.61 127.21 27.34 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.626 0.727 . . . . 0.0 111.174 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -38.34 7.9 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.625 2.217 . . . . 0.0 112.35 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . -76.7 -11.7 85.1 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.795 -0.716 . . . . 0.0 112.477 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 22.8 m -123.58 146.65 47.98 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.767 0.318 . . . . 0.0 111.105 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -91.57 113.23 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 123.37 -178.01 16.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.451 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 45.5 t -108.16 147.5 12.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.877 0.37 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 47.0 m -123.16 135.67 54.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.439 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.0 OUTLIER -108.17 154.62 21.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.2 tp -126.84 123.91 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 39.5 tttm -104.73 135.3 46.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.925 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.405 HD12 ' HB3' ' A' ' 85' ' ' MET . 51.8 mt -127.81 133.64 49.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.912 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -138.07 135.38 35.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.19 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.6 t -72.09 127.25 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.133 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.47 HG22 HD11 ' A' ' 25' ' ' LEU . 52.6 t -81.2 146.53 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.115 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -76.7 -67.01 0.74 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -80.3 82.52 6.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.853 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 5.6 p -158.33 145.91 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 87.6 m -40.53 -70.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.12 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 22.0 t -39.43 149.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.094 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -103.79 178.51 24.96 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.67 ' O ' HG23 ' A' ' 116' ' ' VAL . 11.6 mmt85 -74.68 -38.79 62.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.803 0.335 . . . . 0.0 110.892 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 8.5 mtt-85 -63.65 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.2 tp60 -77.58 -66.76 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -47.53 -59.14 3.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.073 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.784 ' HA ' HD12 ' A' ' 119' ' ' LEU . 86.2 t -46.62 -44.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.124 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -57.08 -54.36 47.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.125 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.552 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 25.7 t90 -52.0 -45.75 64.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.784 HD12 ' HA ' ' A' ' 116' ' ' VAL . 44.2 mt -49.39 -71.51 0.06 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -56.18 -37.12 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -55.46 -27.3 47.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.6 tpt -72.87 -64.79 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.904 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 44.9 t-80 -54.61 -41.99 70.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -63.74 -41.21 98.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -68.92 -46.63 67.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.961 ' HB1' ' CE1' ' A' ' 130' ' ' TYR . . . -51.61 -33.29 32.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 13.9 mtpp -53.77 -19.63 4.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.549 ' CD1' ' CE1' ' A' ' 11' ' ' TYR . 14.4 mt -83.64 -51.57 7.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.912 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.549 HD23 ' H ' ' A' ' 129' ' ' LEU . 0.1 OUTLIER -71.2 -22.19 62.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.954 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.961 ' CE1' ' HB1' ' A' ' 126' ' ' ALA . 3.3 m-30 -69.39 -63.17 1.12 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 -106.27 158.86 16.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 31.3 m -126.41 95.32 4.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.32 170.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -43.07 106.92 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 81.9 mm-40 -38.09 113.74 0.3 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.6 m -158.0 108.95 2.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 114.87 73.33 0.56 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.473 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 124.39 11.03 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.676 2.25 . . . . 0.0 112.345 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 75.0 p -127.99 90.32 3.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 73.7 m -112.4 98.4 7.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -163.27 138.39 6.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.886 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.3 m -59.04 -44.22 91.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.85 145.53 4.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.445 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -102.6 -55.76 2.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.0 p -41.55 -56.28 2.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.886 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 107.27 138.61 8.89 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.57 82.6 1.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.765 0.317 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -45.33 -49.3 12.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.876 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 12.2 t80 -44.14 -54.9 5.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -62.76 -55.51 25.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.902 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -37.35 -43.63 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.866 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' HE2' ' N ' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -67.19 -50.74 59.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.937 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 87.4 mm-40 -47.76 -26.5 1.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.88 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -48.97 -69.19 0.12 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 0.2 OUTLIER -51.45 -36.99 46.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.847 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.534 HG13 HE22 ' A' ' 114' ' ' GLN . 71.2 t -60.11 -50.2 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.542 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 19.0 mt -63.06 -56.13 19.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.877 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 20' ' ' SER . 73.5 mt -53.9 -52.85 59.22 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.979 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 25.6 t -34.83 -47.38 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 88.59 131.74 3.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.455 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.575 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -120.73 163.07 18.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.871 0.367 . . . . 0.0 111.067 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.529 ' CG2' HG23 ' A' ' 36' ' ' THR . 17.1 m -87.22 147.22 25.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.167 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 66.4 m-85 -157.22 151.0 24.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.715 HD22 ' HB2' ' A' ' 34' ' ' PRO . 18.2 mt -89.1 107.57 19.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.614 ' CG1' HD11 ' A' ' 100' ' ' LEU . 88.3 t -95.22 120.74 45.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.2 m -105.67 96.17 6.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.146 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.456 ' O ' ' N ' ' A' ' 31' ' ' SER . 91.3 m-85 -72.14 135.79 46.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.29 -37.86 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.457 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.4 t-20 -83.96 -41.05 17.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.919 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.456 ' N ' ' O ' ' A' ' 28' ' ' PHE . 21.5 m -75.63 81.87 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -47.64 -32.91 6.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.918 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.6 ttmm -102.52 135.37 19.55 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 110.868 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.715 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.68 153.66 69.0 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -132.5 152.32 51.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.529 HG23 ' CG2' ' A' ' 23' ' ' THR . 56.1 m -74.8 106.0 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.156 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.464 ' HE2' ' C ' ' A' ' 51' ' ' ASP . 39.6 mtp -123.45 166.29 15.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.858 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 88.4 m -109.28 138.02 46.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.113 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.402 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 84.2 m -126.1 118.27 24.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.1 ptt180 -139.7 167.78 21.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.888 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 45' ' ' GLN . 6.3 mt -103.08 166.74 10.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.935 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.0 t -83.34 177.98 8.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.889 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -43.53 -60.43 1.75 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -96.35 23.42 6.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.471 ' HB3' HD22 ' A' ' 41' ' ' LEU . 68.6 mt-30 46.74 42.89 12.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.927 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -98.02 -25.81 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -132.64 155.29 49.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -113.01 142.02 46.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.967 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -132.81 149.57 52.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.658 HD12 ' HB3' ' A' ' 56' ' ' TYR . 9.1 mt -123.26 159.8 27.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.91 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' C ' ' HE2' ' A' ' 37' ' ' MET . 4.3 m-20 -140.32 116.88 10.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.847 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -175.89 -124.27 0.81 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.471 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.88 -46.29 15.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.773 0.32 . . . . 0.0 110.86 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.1 m -152.34 167.14 29.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 45.0 m-70 -61.36 103.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.658 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.3 m-85 -112.96 150.04 32.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.905 -179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -157.09 119.32 3.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.871 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.447 ' CD1' HD22 ' A' ' 100' ' ' LEU . 56.9 mt -104.75 100.1 9.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.683 ' HB3' HG22 ' A' ' 61' ' ' VAL . 18.8 mp0 -65.74 114.39 4.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.51 ' HA ' HD12 ' A' ' 63' ' ' ILE . 79.1 mt -48.07 -38.13 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.146 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.683 HG22 ' HB3' ' A' ' 59' ' ' GLU . 19.3 m -50.69 -31.59 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.145 179.825 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -82.49 -41.59 19.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD12 ' HA ' ' A' ' 60' ' ' ILE . 67.5 mt -49.26 128.39 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.155 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 43.3 t -101.33 -54.95 2.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 78.2 m -103.94 146.76 28.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.086 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.6 t -146.96 105.18 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.124 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -136.9 160.77 37.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.493 HD11 ' CB ' ' A' ' 123' ' ' HIS . 91.0 mt -102.35 137.52 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.419 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 96.1 mt -89.84 133.13 34.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.904 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 55.0 p -142.06 116.38 9.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -43.46 -37.39 2.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.57 112.52 1.6 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.463 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -73.24 134.5 80.21 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.635 0.731 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.76 119.71 6.62 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.714 2.276 . . . . 0.0 112.301 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -23.58 30.89 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.684 2.256 . . . . 0.0 112.379 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -165.78 -67.09 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.48 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -157.04 -150.37 5.67 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.456 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 104.3 -75.57 0.26 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.51 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -145.48 149.99 35.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -123.54 150.82 43.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.054 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 5.5 ptp85 -166.45 167.91 15.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -137.53 117.2 13.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.077 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 60.3 p -92.55 -39.2 11.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.115 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.411 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -143.69 -171.25 13.78 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.516 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -141.94 146.88 36.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.8 0.333 . . . . 0.0 110.898 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 26.1 t80 -128.46 121.27 28.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.854 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.2 mt -132.76 138.67 47.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 44.1 mt-30 -117.64 135.65 53.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -154.1 154.81 34.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.414 HG22 HG22 ' A' ' 97' ' ' VAL . 40.1 p -109.45 131.21 55.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.129 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.1 t -83.63 130.19 56.84 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.64 0.734 . . . . 0.0 111.149 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 91.42 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.757 2.305 . . . . 0.0 112.35 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 129.02 17.88 1.77 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -140.4 175.09 9.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -112.1 144.38 41.57 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.63 -173.4 45.55 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.501 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.414 HG22 HG22 ' A' ' 90' ' ' THR . 46.7 t -122.2 141.11 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.905 0.383 . . . . 0.0 111.136 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 59.4 m -107.62 129.13 55.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.155 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.1 140.33 45.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.936 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.614 HD11 ' CG1' ' A' ' 26' ' ' VAL . 10.3 tp -106.06 150.74 25.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.419 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 45.8 tttm -132.95 123.11 25.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.93 179.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.479 ' CD2' HG22 ' A' ' 26' ' ' VAL . 34.8 mt -113.91 144.2 43.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.918 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 23.1 m -143.23 154.35 43.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.14 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.627 HG11 ' HG3' ' A' ' 112' ' ' ARG . 85.8 t -73.05 135.95 26.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.113 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.469 ' CG1' ' HG ' ' A' ' 25' ' ' LEU . 16.0 m -104.83 144.74 14.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -99.75 95.92 7.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -109.46 -47.17 3.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.848 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.441 ' O ' ' C ' ' A' ' 109' ' ' THR . 12.0 p -106.96 156.13 7.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.139 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.441 ' C ' ' O ' ' A' ' 108' ' ' VAL . 25.2 p -34.12 -47.08 0.26 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.418 HG13 ' O ' ' A' ' 110' ' ' VAL . 6.9 p -157.57 121.25 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.123 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -163.46 38.55 0.33 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.484 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.627 ' HG3' HG11 ' A' ' 104' ' ' VAL . 18.5 ttt180 -78.38 -45.65 21.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 1.0 OUTLIER -38.21 -45.88 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 -179.899 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.534 HE22 HG13 ' A' ' 17' ' ' VAL . 6.4 tp60 -53.93 -63.0 1.29 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -54.97 -59.21 5.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.139 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.545 ' HA ' HD12 ' A' ' 119' ' ' LEU . 38.6 t -44.9 -48.23 2.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.424 ' O ' ' CG1' ' A' ' 120' ' ' VAL . . . -53.06 -51.03 63.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.142 179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.542 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 45.7 t90 -56.79 -42.94 80.37 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.545 HD12 ' HA ' ' A' ' 116' ' ' VAL . 33.8 mt -59.86 -52.83 63.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.478 ' CG2' ' HE3' ' A' ' 124' ' ' LYS . 5.7 p -63.07 -40.65 89.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.085 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -66.56 -39.36 88.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.133 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 6.3 tpt -61.86 -54.46 41.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.855 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.493 ' CB ' HD11 ' A' ' 68' ' ' ILE . 44.4 t-80 -59.36 -64.34 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.827 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.478 ' HE3' ' CG2' ' A' ' 120' ' ' VAL . 28.7 mttt -43.58 -59.4 2.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -55.58 -50.09 70.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.085 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.44 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -34.45 -48.12 0.34 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.575 ' HA ' ' CE2' ' A' ' 130' ' ' TYR . 94.9 mttt -41.14 -53.52 3.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 29.2 mt -38.5 -53.15 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 126' ' ' ALA . 11.6 mt -40.07 -58.68 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.575 ' CE2' ' HA ' ' A' ' 127' ' ' LYS . 0.7 OUTLIER -95.58 -63.22 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.899 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 127' ' ' LYS . 55.6 mt-10 -46.62 -23.84 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 6.2 t -132.12 53.58 1.99 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.852 -179.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.2 ppt_? -44.61 157.25 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.03 158.14 34.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -94.14 -49.27 5.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.939 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 16.3 m -130.54 158.44 39.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -161.92 -154.21 7.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -177.57 1.93 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.699 2.266 . . . . 0.0 112.316 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 84.5 p -91.5 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.92 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.0 t -63.36 153.77 34.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.847 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.482 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.6 m -123.46 154.52 38.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.84 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -148.84 136.1 20.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.861 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.77 85.26 1.43 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -65.15 161.58 18.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.841 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -98.11 124.04 42.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.843 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 51.48 69.09 1.24 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -99.53 88.06 3.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 111.129 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -81.74 -32.56 31.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.0 t80 -59.82 -63.69 1.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -59.46 -14.65 13.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.929 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.03 -20.83 21.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.833 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm -89.17 -24.24 22.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.455 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 4.5 pp0? -88.89 -39.82 13.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.781 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -66.23 -43.45 86.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.602 ' N ' HD12 ' A' ' 15' ' ' LEU . 20.5 pttp -54.1 -33.04 56.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG11 ' CB ' ' A' ' 117' ' ' ALA . 94.8 t -75.19 -40.33 43.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.557 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 21.4 mt -61.44 -59.34 5.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.58 HD21 HE21 ' A' ' 45' ' ' GLN . 96.9 mt -48.37 -60.47 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 19' ' ' LEU . 5.6 t -34.47 -42.66 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.823 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.35 137.86 2.75 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.513 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.682 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -134.9 173.4 11.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 7.9 m -87.92 147.8 24.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.121 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.682 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 20.5 m-85 -155.35 156.25 35.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.924 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.441 ' HG ' ' CG2' ' A' ' 105' ' ' VAL . 35.9 mt -96.01 106.14 18.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.918 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.678 HG13 HD11 ' A' ' 100' ' ' LEU . 43.0 t -93.87 130.53 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.152 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -122.27 108.56 13.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' O ' ' N ' ' A' ' 31' ' ' SER . 57.3 m-85 -77.9 139.5 39.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -36.07 -40.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.445 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -77.29 -41.8 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 28' ' ' PHE . 14.1 m -73.09 119.43 17.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -84.51 -21.2 30.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.874 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -110.27 133.52 21.05 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.62 0.724 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 144.83 55.43 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.694 2.263 . . . . 0.0 112.358 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -124.58 149.83 46.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 15.9 m -69.51 112.58 6.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.151 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . 0.572 ' HB2' HG23 ' A' ' 26' ' ' VAL . 22.5 mtp -132.23 151.27 51.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.2 m -101.92 124.98 48.46 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.138 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.9 t -115.08 118.71 34.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -138.61 161.7 36.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.445 HD12 HD22 ' A' ' 18' ' ' LEU . 9.2 mt -103.95 132.36 50.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.463 ' HB2' ' CE2' ' A' ' 49' ' ' PHE . 4.7 t -63.12 173.35 1.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . 0.484 ' ND2' ' H ' ' A' ' 43' ' ' ASN . 2.2 m-80 -52.62 -40.04 62.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.855 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 16.0 m-80 -74.76 -17.7 60.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.58 HE21 HD21 ' A' ' 19' ' ' LEU . 89.3 mt-30 54.76 39.97 31.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 37.3 mtt180 -121.43 -19.73 6.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 66.6 m-85 -123.91 140.99 52.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 55.9 mt -101.39 133.04 46.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.911 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.463 ' CE2' ' HB2' ' A' ' 42' ' ' SER . 12.8 m-85 -112.47 153.93 26.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.703 HD12 ' HB3' ' A' ' 56' ' ' TYR . 19.0 mt -133.82 134.06 42.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -117.07 132.62 56.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.86 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 157.88 -133.12 3.38 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 52' ' ' GLY . 0.5 OUTLIER -35.49 -45.28 0.34 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.857 0.36 . . . . 0.0 110.861 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 58.7 m -152.69 -179.02 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.5 m-70 -87.67 85.08 7.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.703 ' HB3' HD12 ' A' ' 50' ' ' LEU . 13.3 m-85 -95.08 145.68 24.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.477 ' OE1' ' N ' ' A' ' 57' ' ' GLU . 41.0 mp0 -146.95 123.36 11.0 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 22.8 mt -111.97 100.08 10.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.727 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.4 pm0 -67.35 127.73 33.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 55.9 mt -58.88 -30.77 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.155 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.727 HG22 ' HB2' ' A' ' 59' ' ' GLU . 27.2 m -52.06 -27.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.15 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.9 m-70 -91.64 -45.38 8.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 41.0 mt -43.2 128.84 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.3 m -107.69 -50.72 3.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.838 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 23.4 m -104.65 131.33 52.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.126 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.635 HG13 ' CD2' ' A' ' 87' ' ' LEU . 57.9 t -134.3 102.24 4.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.103 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.462 ' CG ' ' HB3' ' A' ' 86' ' ' PHE . 15.4 pt20 -131.32 159.29 38.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.413 HG23 ' O ' ' A' ' 84' ' ' GLY . 72.6 mt -104.9 137.17 35.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.412 ' CD1' ' HG3' ' A' ' 101' ' ' LYS . 85.4 mt -90.9 127.39 36.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.933 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.738 HG22 ' HA ' ' A' ' 82' ' ' ALA . 61.1 p -132.69 119.88 20.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.154 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -73.79 123.9 25.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.28 118.48 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.492 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -106.58 141.04 21.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.642 0.734 . . . . 0.0 110.864 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 157.79 59.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.676 2.25 . . . . 0.0 112.334 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -25.47 28.29 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.643 2.229 . . . . 0.0 112.334 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -120.99 -60.46 0.23 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.451 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 135.49 166.37 11.01 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 141.22 -49.58 0.77 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 71.4 m-20 -122.99 94.56 4.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.812 0.339 . . . . 0.0 110.858 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -97.38 84.53 3.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.67 103.2 0.52 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.846 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.738 ' HA ' HG22 ' A' ' 70' ' ' THR . . . -74.78 85.27 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.065 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.6 p -83.94 33.07 0.48 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.433 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 157.38 -172.45 34.78 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.507 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.725 ' HB3' HD12 ' A' ' 102' ' ' LEU . 3.0 ttt -156.85 128.66 7.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.822 0.344 . . . . 0.0 110.891 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' HB3' ' CG ' ' A' ' 67' ' ' GLN . 28.6 t80 -109.25 122.25 46.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.635 ' CD2' HG13 ' A' ' 66' ' ' VAL . 9.0 mt -128.1 168.54 15.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 30.2 mt-30 -145.84 131.94 19.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.415 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 19.4 p90 -140.72 167.07 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 22.6 p -121.5 133.48 55.04 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.098 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.663 ' HB ' HG22 ' A' ' 94' ' ' THR . 9.2 t -100.26 128.92 29.27 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.704 . . . . 0.0 111.128 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.01 2.43 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.65 2.233 . . . . 0.0 112.336 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.524 ' H ' HG12 ' A' ' 91' ' ' VAL . . . -127.6 17.99 6.06 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.486 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.663 HG22 ' HB ' ' A' ' 91' ' ' VAL . 1.6 t -141.37 160.97 39.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.309 . . . . 0.0 111.144 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 19.0 mp0 -102.46 111.16 23.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.64 -165.09 12.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 39.2 t -116.68 152.87 18.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.905 0.384 . . . . 0.0 111.165 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.415 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 56.9 m -122.33 136.64 54.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.14 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -111.79 148.38 33.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.678 HD11 HG13 ' A' ' 26' ' ' VAL . 11.2 tp -119.07 139.38 51.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HG3' ' CD1' ' A' ' 69' ' ' LEU . 1.6 ttmp? -121.46 131.08 53.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.863 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 85' ' ' MET . 24.3 mt -122.06 148.02 45.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.434 HG22 ' H ' ' A' ' 104' ' ' VAL . 2.4 m -142.83 164.47 30.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.692 HG11 ' HG2' ' A' ' 112' ' ' ARG . 13.8 t -97.44 135.09 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.441 ' CG2' ' HG ' ' A' ' 25' ' ' LEU . 22.0 t -125.83 152.48 32.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -130.09 -30.81 1.95 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -54.61 -44.21 72.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.562 HG13 ' N ' ' A' ' 109' ' ' THR . 14.0 p -73.99 -47.85 40.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.562 ' N ' HG13 ' A' ' 108' ' ' VAL . 12.9 p -154.94 130.81 10.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.1 t -70.88 89.86 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -146.69 47.09 0.71 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.692 ' HG2' HG11 ' A' ' 104' ' ' VAL . 1.2 tmm_? -69.86 -38.05 76.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.815 0.341 . . . . 0.0 110.9 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.12 -42.63 99.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.849 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -70.42 -55.21 9.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -49.01 -66.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.49 -41.69 11.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.169 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' CB ' HG11 ' A' ' 17' ' ' VAL . . . -66.61 -33.4 75.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.059 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.557 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 36.9 t90 -67.91 -44.59 76.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.671 HD22 ' HB2' ' A' ' 85' ' ' MET . 23.8 mt -60.03 -61.69 2.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.2 p -47.98 -45.16 12.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.485 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -65.68 -42.12 91.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.6 tpt -50.83 -51.24 53.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -65.83 -60.83 2.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.793 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 2.0 mtpm? -40.0 -47.78 2.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.887 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -71.42 -41.11 69.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.068 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.09 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.099 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 2.1 mmmp? -65.06 -29.1 69.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 11.4 mt -79.45 -32.36 42.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -60.2 -60.6 3.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -75.66 -55.19 5.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -101.13 165.98 11.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 p -163.58 163.11 24.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 32.8 mtp180 -142.95 153.64 43.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -96.75 -51.11 4.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -141.61 156.36 45.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.915 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 37.3 m -113.42 42.93 1.85 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 64.42 83.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.529 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.96 15.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.618 2.212 . . . . 0.0 112.368 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.2 m -41.24 158.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.839 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.8 m 55.51 51.72 12.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.894 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 -179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -160.25 153.65 22.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.362 . . . . 0.0 110.837 -179.699 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLY . 34.7 m -63.84 159.65 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.834 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.16 -145.16 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.509 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 55.3 m -78.44 175.17 10.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.895 0.378 . . . . 0.0 110.864 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.3 m -140.89 147.43 38.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.816 -179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -106.43 -105.18 3.0 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.486 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 65.62 49.77 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.759 0.314 . . . . 0.0 111.114 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -73.5 -6.51 46.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.5 ' O ' ' CG ' ' A' ' 13' ' ' LYS . 30.3 t80 -74.56 -44.93 48.64 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.488 ' CB ' HD11 ' A' ' 15' ' ' LEU . 14.1 m-85 -95.7 -37.92 10.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.443 ' HA ' HD12 ' A' ' 15' ' ' LEU . 2.6 m-20 -42.72 -22.81 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 10' ' ' PHE . 5.5 ptpt -68.27 -48.13 65.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.943 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.579 HE22 HD23 ' A' ' 15' ' ' LEU . 1.5 pp0? -88.17 -45.12 10.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.579 HD23 HE22 ' A' ' 14' ' ' GLN . 23.7 mt -40.96 -53.79 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -56.39 -37.9 70.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 36.4 t -66.32 -45.54 89.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.117 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.589 HD13 ' CD1' ' A' ' 41' ' ' LEU . 15.0 mt -62.26 -51.37 68.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.3 mt -53.5 -60.28 3.51 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.845 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 41.1 t -42.92 -44.45 4.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.898 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 91.43 134.22 6.13 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.511 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -109.01 -178.69 3.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.875 0.369 . . . . 0.0 111.101 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 8.7 m -107.71 148.8 28.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -156.94 168.53 27.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD22 ' HB2' ' A' ' 34' ' ' PRO . 36.2 mt -106.62 103.92 13.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.0 t -92.64 134.38 30.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.132 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 7.8 m -118.16 120.72 38.58 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.187 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -90.22 141.09 29.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -38.52 -41.75 1.22 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -77.46 -48.8 16.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.847 0.356 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.0 m -76.2 99.42 4.71 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -65.28 -23.69 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.1 ttmt -96.19 135.66 22.5 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.547 0.689 . . . . 0.0 110.881 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.446 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.77 148.6 65.36 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.661 2.24 . . . . 0.0 112.355 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -122.94 144.63 49.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.0 m -76.33 104.82 7.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.161 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 33.0 mtp -118.42 174.06 6.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.92 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 34.6 m -125.44 128.23 47.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.168 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 87.2 m -111.48 140.86 45.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.884 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.0 ptt85 -155.26 164.58 38.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.589 ' CD1' HD13 ' A' ' 18' ' ' LEU . 6.4 mt -106.11 162.31 13.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.939 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.7 t -72.79 172.8 10.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.828 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -49.91 -43.25 49.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -103.73 22.68 14.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 3.4 mm100 42.5 41.39 2.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 39.6 mtt180 -100.13 -17.93 17.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.491 ' CD1' ' OE1' ' A' ' 59' ' ' GLU . 92.8 m-85 -145.85 149.26 33.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 -179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 52.5 mt -100.09 147.51 25.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -136.83 141.31 42.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.907 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.689 HD12 ' HB3' ' A' ' 56' ' ' TYR . 25.1 mt -106.76 159.59 16.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -156.05 118.74 4.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 176.11 -134.88 2.74 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.407 ' C ' ' O ' ' A' ' 52' ' ' GLY . 1.9 p-10 -37.87 -41.15 0.51 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.831 0.348 . . . . 0.0 110.879 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -149.65 162.26 40.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.2 m-70 -72.4 126.59 30.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.818 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.689 ' HB3' HD12 ' A' ' 50' ' ' LEU . 23.8 m-85 -149.81 154.74 38.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.962 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.435 ' N ' ' CD ' ' A' ' 57' ' ' GLU . 1.2 pm0 -155.9 136.91 13.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.431 HD11 HD11 ' A' ' 50' ' ' LEU . 10.9 mt -120.7 108.45 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.167 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.491 ' OE1' ' CD1' ' A' ' 47' ' ' TYR . 9.7 mm-40 -67.13 133.49 49.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.481 ' O ' HG22 ' A' ' 60' ' ' ILE . 62.0 mt -64.31 -12.38 12.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.117 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 4.7 m -76.73 -33.84 22.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.151 179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -80.93 -28.03 35.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 25.8 mt -63.53 134.73 28.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 30.9 m -112.39 -55.4 2.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.844 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 96.6 m -104.55 141.42 36.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.4 t -142.79 110.26 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -139.11 160.26 40.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.897 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 51.5 mt -105.58 138.73 29.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.127 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 79.4 mt -92.36 124.19 36.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.609 HG22 ' HA ' ' A' ' 82' ' ' ALA . 23.2 p -132.08 120.45 22.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.142 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.439 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 0.6 OUTLIER -49.95 179.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.892 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.439 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 93.54 78.05 1.39 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.482 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.482 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 2.1 m-85 -47.47 -60.37 4.2 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.664 0.745 . . . . 0.0 110.877 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.482 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.3 Cg_endo -69.81 168.14 22.46 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.706 2.27 . . . . 0.0 112.322 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -33.82 15.58 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.691 2.261 . . . . 0.0 112.33 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 39.21 -147.26 0.16 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.521 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -77.6 -59.41 3.05 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 130.22 62.46 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.478 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -62.2 143.09 57.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -99.52 64.27 1.3 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.079 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 89.9 mtt180 -140.44 127.96 21.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.609 ' HA ' HG22 ' A' ' 70' ' ' THR . . . -94.01 128.59 40.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.121 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 30.3 p -100.03 -27.3 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.137 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.497 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -157.05 -177.48 30.2 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.48 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.681 ' HB3' HD12 ' A' ' 102' ' ' LEU . 5.1 ttm -141.74 145.78 35.23 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.8 0.333 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.411 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 37.1 t80 -123.89 129.66 51.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.893 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 10.4 mt -135.15 151.12 50.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.891 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -128.11 135.76 50.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.534 ' OH ' HD13 ' A' ' 100' ' ' LEU . 5.7 p90 -152.72 146.38 25.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.403 HG22 HG22 ' A' ' 97' ' ' VAL . 66.5 p -98.78 140.2 33.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.151 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.674 HG13 ' HD2' ' A' ' 92' ' ' PRO . 91.9 t -92.86 138.81 23.29 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.68 0.753 . . . . 0.0 111.08 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.674 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.6 Cg_endo -69.78 126.75 13.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.635 2.223 . . . . 0.0 112.356 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 90.73 -30.16 6.34 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.474 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 51.8 m -90.67 137.51 32.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.775 0.322 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -91.29 113.88 26.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 166.11 11.4 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.403 HG22 HG22 ' A' ' 90' ' ' THR . 39.3 t -108.57 137.72 38.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 63.8 m -110.19 136.18 49.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.493 ' C ' ' CD ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -105.04 158.84 16.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.944 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.534 HD13 ' OH ' ' A' ' 89' ' ' TYR . 3.3 tp -136.94 124.16 21.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.921 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 13.7 ttmt -104.38 145.42 30.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.924 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' A' ' 85' ' ' MET . 57.8 mt -131.52 129.4 41.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.942 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.0 m -137.22 143.24 42.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.119 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.0 t -76.11 132.65 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.128 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 106' ' ' GLU . 9.9 p -99.26 157.86 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.141 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 105' ' ' VAL . 0.0 OUTLIER -105.02 139.11 40.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -166.1 -175.15 3.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.92 -18.55 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.128 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.426 ' O ' ' C ' ' A' ' 110' ' ' VAL . 1.6 m -69.68 -33.97 73.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.169 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 110' ' ' VAL . 18.3 m 35.92 38.42 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.18 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -96.49 44.99 1.92 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 114' ' ' GLN . 12.0 mtm180 -51.33 -49.67 60.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.825 0.345 . . . . 0.0 110.868 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 90.6 mtt180 -40.14 -26.77 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 112' ' ' ARG . 30.0 tp60 -74.75 -64.87 0.95 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.957 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -56.01 -57.84 10.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.9 t -42.72 -38.0 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.5 -62.41 1.49 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.577 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 26.5 t90 -40.74 -30.08 0.11 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 70.7 mt -65.84 -64.1 0.94 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.7 p -59.04 -37.33 67.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.55 ' HB1' ' HB2' ' A' ' 14' ' ' GLN . . . -65.82 -34.18 77.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.077 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.8 tpt -66.47 -54.07 28.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 28.6 t-80 -63.8 -48.34 77.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.928 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 21.2 mmtp -52.26 -41.44 62.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.3 40.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.108 179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.08 -27.08 7.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.492 ' O ' ' N ' ' A' ' 131' ' ' GLU . 8.4 mtpm? -61.04 -56.23 23.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.1 mt -51.98 -29.62 21.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -68.73 -40.72 79.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.914 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.409 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -102.14 -63.05 1.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.492 ' N ' ' O ' ' A' ' 127' ' ' LYS . 14.0 mm-40 -48.49 -25.43 1.67 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.905 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 3.1 t -132.45 170.53 14.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 35.8 mtt180 -120.5 -179.24 3.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.919 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -39.31 -55.53 1.7 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.846 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 7.3 tp-100 -67.09 109.91 3.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.904 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.9 m -139.03 172.0 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.884 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 137.35 67.92 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.476 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 155.35 66.09 Favored 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.4 p -64.27 133.44 52.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.883 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 35.4 p -128.09 128.42 44.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.496 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -133.32 116.75 16.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -150.66 146.28 26.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.43 -42.04 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 m -87.56 122.56 31.42 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.85 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -82.95 99.09 9.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.884 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -119.76 -49.01 0.32 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.515 ' HB1' ' HD2' ' A' ' 11' ' ' TYR . . . -84.8 75.58 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.715 0.293 . . . . 0.0 111.094 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 10' ' ' PHE . 2.9 pt-20 -47.73 -58.06 4.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' C ' ' O ' ' A' ' 9' ' ' GLU . 2.8 t80 -36.98 -57.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.548 ' OH ' HD21 ' A' ' 128' ' ' LEU . 40.4 m-85 -56.82 -58.19 9.21 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 -179.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.507 ' HA ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -38.33 -29.04 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 179.925 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 11' ' ' TYR . 18.5 mmtp -86.32 -44.92 11.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.491 ' O ' HD12 ' A' ' 18' ' ' LEU . 31.4 mt-30 -59.47 -18.53 40.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.902 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.764 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -79.85 -43.63 21.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.511 ' N ' HD12 ' A' ' 15' ' ' LEU . 10.7 ptpt -75.71 -39.73 56.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.885 179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.466 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 84.2 t -68.45 -40.93 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.102 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.717 HD22 HD12 ' A' ' 41' ' ' LEU . 19.5 mt -61.83 -61.82 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.974 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 31.4 mt -46.23 -50.86 15.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.907 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.6 t -40.62 -54.91 2.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 97.82 145.21 18.55 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.524 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.522 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -132.96 155.67 48.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.881 0.372 . . . . 0.0 111.11 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.2 m -87.96 144.85 26.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.138 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.522 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 82.2 m-85 -153.66 175.6 13.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.528 HD22 ' HB2' ' A' ' 34' ' ' PRO . 21.3 mt -104.44 112.48 25.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.914 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.9 t -102.54 135.13 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.0 m -124.72 108.65 12.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.186 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -84.86 169.56 14.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -61.79 -36.53 92.88 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 73.9 m-20 -78.12 -42.82 30.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.349 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.2 m -80.29 119.05 22.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -81.2 -30.72 34.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.7 ttpt -102.62 139.05 19.84 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.563 0.697 . . . . 0.0 110.903 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.528 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.7 Cg_endo -69.74 143.33 50.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -121.0 146.97 46.13 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.855 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 m -69.59 106.92 3.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.105 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 3.0 mtt -121.39 176.74 5.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.852 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 60.0 m -126.4 127.88 46.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.132 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 74.1 m -118.11 117.46 29.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -140.97 163.39 33.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.833 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.717 HD12 HD22 ' A' ' 18' ' ' LEU . 7.7 mt -102.98 129.62 49.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.56 168.45 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.884 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -51.79 -34.52 40.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 70.1 m-20 -76.93 -20.14 56.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 56.67 40.12 29.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 56.2 mtt180 -126.38 -2.43 6.87 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 86.5 m-85 -146.5 145.48 30.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 12.6 mt -101.03 144.96 29.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -133.3 146.26 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.82 HD12 ' HB3' ' A' ' 56' ' ' TYR . 12.4 mt -118.66 155.54 30.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -149.56 133.41 16.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.843 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 159.12 -131.22 2.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.507 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.431 ' C ' ' O ' ' A' ' 52' ' ' GLY . 28.5 t70 -35.48 -48.22 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -150.1 168.95 22.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.425 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 5.9 p80 -71.92 122.3 20.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.849 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.82 ' HB3' HD12 ' A' ' 50' ' ' LEU . 11.0 m-85 -138.88 150.58 46.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.947 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -149.87 126.45 10.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.8 mt -109.66 100.22 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.731 ' HB3' HG22 ' A' ' 61' ' ' VAL . 40.1 mt-10 -66.32 113.03 4.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 31.9 mt -53.47 -28.78 16.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.116 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.731 HG22 ' HB3' ' A' ' 59' ' ' GLU . 33.6 m -61.11 -28.78 44.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.619 ' HD2' HG23 ' A' ' 61' ' ' VAL . 8.0 m170 -85.19 -41.9 15.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 50.1 mt -45.95 119.66 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 m -92.82 -59.7 1.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 94.7 m -104.01 146.38 28.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.487 HG13 HD23 ' A' ' 87' ' ' LEU . 66.6 t -142.03 105.58 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.127 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -135.85 146.44 47.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.87 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.55 HG23 ' O ' ' A' ' 84' ' ' GLY . 90.1 mt -102.67 136.03 37.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.111 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.4 mt -85.79 122.76 30.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.9 p -118.28 113.48 21.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -84.61 -57.13 3.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.885 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 100.15 -70.68 0.48 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.5 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -43.13 118.58 2.51 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.663 0.744 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 126.97 13.89 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.678 2.252 . . . . 0.0 112.315 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.86 -15.37 36.69 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.637 2.225 . . . . 0.0 112.304 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 109.07 69.29 0.64 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 156.08 49.81 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.445 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.79 115.48 4.01 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.447 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -81.84 107.3 14.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.835 0.35 . . . . 0.0 110.843 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -102.7 155.72 18.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.08 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 14.3 ttm180 -80.17 -56.72 4.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -95.08 116.02 28.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.096 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 91.8 m -94.23 -37.36 11.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.55 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -147.2 178.55 24.76 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.447 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.495 ' SD ' HD12 ' A' ' 102' ' ' LEU . 5.3 ttm -140.22 155.44 46.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.854 0.359 . . . . 0.0 110.824 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.493 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 28.1 t80 -133.08 146.15 51.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.487 HD23 HG13 ' A' ' 66' ' ' VAL . 11.1 mt -151.2 140.77 21.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -122.63 128.85 51.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 7.3 p90 -145.01 175.05 10.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.943 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 74.1 p -120.28 143.31 48.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.172 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.658 HG13 ' HD2' ' A' ' 92' ' ' PRO . 84.4 t -90.72 138.67 26.37 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.664 0.745 . . . . 0.0 111.136 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.658 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.71 116.59 4.63 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.684 2.256 . . . . 0.0 112.341 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 83.86 30.99 27.61 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.451 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 57.9 m -145.37 139.82 27.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.757 0.313 . . . . 0.0 111.161 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -90.3 114.38 26.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 132.73 174.35 13.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.502 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 54.7 t -120.64 133.71 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.928 0.394 . . . . 0.0 111.147 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 23.5 m -105.66 135.41 47.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.153 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.493 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 0.1 OUTLIER -113.62 143.26 44.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.888 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD23 HD21 ' A' ' 102' ' ' LEU . 1.6 tp -113.18 158.4 20.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.2 ttmm -137.98 135.71 36.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.919 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.495 HD12 ' SD ' ' A' ' 85' ' ' MET . 6.1 mt -127.44 131.98 50.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.931 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 85.3 m -143.66 150.9 39.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.157 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.3 t -76.79 122.84 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 3.7 m -54.25 145.37 4.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.126 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -85.04 40.82 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . 0.435 ' O ' ' C ' ' A' ' 108' ' ' VAL . 38.5 m-20 -99.48 159.15 15.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.859 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.435 ' C ' ' O ' ' A' ' 107' ' ' ASP . 10.3 p -34.67 146.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 45.5 p -58.05 123.17 14.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.17 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.8 m -128.09 -40.33 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.147 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -171.92 54.92 0.17 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -54.89 -53.32 57.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.8 0.333 . . . . 0.0 110.858 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 76.0 mtm180 -50.07 -41.83 48.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 34.8 tp60 -57.35 -62.02 2.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -52.33 -68.05 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.71 ' HA ' HD12 ' A' ' 119' ' ' LEU . 87.6 t -39.9 -40.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.118 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.47 -51.51 67.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.085 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.541 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 16.7 t90 -62.63 -28.92 70.24 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.898 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.71 HD12 ' HA ' ' A' ' 116' ' ' VAL . 67.3 mt -61.13 -60.64 3.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 13.1 p -68.42 -34.1 63.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.152 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.85 -61.07 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.089 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.54 ' HG3' ' CH2' ' A' ' 118' ' ' TRP . 1.2 tmt? -43.68 -68.52 0.19 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -42.02 -62.04 1.01 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.509 ' O ' HD23 ' A' ' 128' ' ' LEU . 14.6 mttp -40.47 -39.95 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.882 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.498 ' O ' ' N ' ' A' ' 128' ' ' LEU . . . -77.92 -41.51 36.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.104 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.505 ' O ' ' CE2' ' A' ' 130' ' ' TYR . . . -42.27 -29.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.109 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 20.3 mmtt -81.66 -33.11 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.923 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.548 HD21 ' OH ' ' A' ' 11' ' ' TYR . 3.6 mm? -55.9 -39.58 71.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.929 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 10.8 mt -61.82 -56.9 14.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.896 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.505 ' CE2' ' O ' ' A' ' 126' ' ' ALA . 0.3 OUTLIER -69.22 -61.23 1.88 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.966 179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -53.89 -39.49 65.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 2.4 m 62.83 31.6 16.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 15.1 mmm180 -122.19 109.21 14.21 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -89.04 42.15 1.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.3 pt20 -60.2 171.85 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.9 t -86.18 42.72 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.786 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 60.2 161.76 0.1 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.428 ' O ' ' C ' ' A' ' 139' ' ' SER . 54.0 Cg_endo -69.74 178.9 4.1 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.707 2.271 . . . . 0.0 112.343 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 140' ' ' SER . 5.7 m -35.31 132.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . 0.439 ' C ' ' O ' ' A' ' 139' ' ' SER . 35.3 t -34.97 -55.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 N-CA-C 112.447 -0.261 . . . . 0.0 112.447 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.6 p -120.0 138.48 53.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.902 0.382 . . . . 0.0 110.86 -179.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.436 ' O ' ' C ' ' A' ' 4' ' ' GLY . 59.9 m -76.6 -49.99 14.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.85 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 3' ' ' SER . . . -35.02 113.83 0.13 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -147.65 116.24 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.838 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -101.64 151.29 22.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.873 -179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 127.69 -41.09 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.455 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.69 81.28 6.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.74 0.305 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -55.41 -46.48 76.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.848 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.2 t80 -47.86 -49.27 29.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -70.06 -28.3 65.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.968 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -73.12 -22.65 60.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.846 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.695 ' O ' HG23 ' A' ' 17' ' ' VAL . 21.3 mtpp -86.77 -26.24 24.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.911 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 17.4 mm-40 -81.57 -41.74 21.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.952 HD12 ' N ' ' A' ' 16' ' ' LYS . 3.5 pp -66.22 -45.48 80.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.921 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.952 ' N ' HD12 ' A' ' 15' ' ' LEU . 15.5 pttp -60.64 -43.87 97.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.695 HG23 ' O ' ' A' ' 13' ' ' LYS . 76.3 t -64.91 -42.67 95.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.099 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 76.4 mt -63.5 -63.58 1.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 61.9 mt -46.35 -48.15 18.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.902 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.6 t -42.07 -36.55 1.17 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.841 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.94 135.02 2.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.473 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.686 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -128.49 157.37 41.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.895 0.379 . . . . 0.0 111.109 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -89.2 142.34 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.119 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.686 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.3 m-85 -154.28 161.86 41.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.874 HD22 ' HB2' ' A' ' 34' ' ' PRO . 13.7 mt -97.6 119.6 36.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.915 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.428 ' CG1' HD11 ' A' ' 100' ' ' LEU . 65.8 t -104.66 122.1 57.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -104.32 116.32 31.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.111 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 52.9 m-85 -93.02 135.42 34.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.924 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -42.63 -33.1 1.45 Allowed Glycine 0 N--CA 1.453 -0.231 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.444 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . 0.416 ' C ' ' OD1' ' A' ' 30' ' ' ASN . 32.3 t-20 -73.9 -46.83 42.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.818 0.342 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.6 p -89.02 131.07 35.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -80.05 -25.56 40.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.9 tttt -105.31 138.99 19.71 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.605 0.717 . . . . 0.0 110.88 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.874 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.6 Cg_endo -69.82 170.3 16.98 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.712 2.275 . . . . 0.0 112.356 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 41.2 tp10 -141.72 143.32 33.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.929 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 75.8 m -66.29 112.01 3.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 41.7 mtp -131.16 149.33 52.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.923 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.3 m -99.19 124.1 43.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.134 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.451 ' SG ' ' CD2' ' A' ' 50' ' ' LEU . 27.1 m -109.68 119.11 38.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.915 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 28.3 ptt-85 -138.79 161.85 36.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.483 HD12 ' HB3' ' A' ' 18' ' ' LEU . 6.8 mt -105.01 165.02 11.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.894 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 7.6 t -75.78 175.29 8.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -44.01 -55.96 4.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 39.8 m-20 -99.68 19.16 16.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 53.12 48.11 22.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.536 ' HB3' ' CE1' ' A' ' 47' ' ' TYR . 47.2 mtp180 -97.83 -10.33 24.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.536 ' CE1' ' HB3' ' A' ' 46' ' ' ARG . 9.9 m-85 -159.44 153.88 24.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 43.7 mt -100.05 149.55 23.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -133.05 134.4 44.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.856 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' CD2' ' SG ' ' A' ' 39' ' ' CYS . 34.9 mt -112.91 157.81 20.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -138.64 144.21 39.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 148.62 -132.46 4.16 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.518 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.424 ' C ' ' O ' ' A' ' 52' ' ' GLY . 14.6 m-20 -36.34 -49.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.778 0.323 . . . . 0.0 110.876 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.4 m -148.08 178.76 8.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.855 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -83.41 99.24 9.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.832 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 19.9 m-85 -110.99 152.45 26.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -155.21 122.39 5.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 57.1 mt -101.27 99.94 9.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.167 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.805 ' HB3' HG22 ' A' ' 61' ' ' VAL . 41.0 mt-10 -64.48 118.97 9.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.933 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 92.1 mt -54.22 -26.63 15.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.805 HG22 ' HB3' ' A' ' 59' ' ' GLU . 18.0 m -61.88 -18.05 18.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -99.17 -35.52 9.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.427 HG23 ' O ' ' A' ' 88' ' ' GLN . 62.9 mt -53.43 134.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.106 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 15.3 m -105.56 -63.29 1.26 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.816 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 56.0 m -104.08 139.53 39.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.098 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.721 HG13 ' CD2' ' A' ' 87' ' ' LEU . 86.3 t -134.97 100.97 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -126.38 159.41 33.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.471 HD11 ' CB ' ' A' ' 123' ' ' HIS . 80.3 mt -108.58 142.5 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.129 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.458 HD13 ' HE3' ' A' ' 101' ' ' LYS . 84.4 mt -89.17 101.71 14.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.918 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 36.1 p -109.05 148.09 31.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.122 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -59.83 -38.59 82.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.923 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -88.49 101.56 2.75 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.462 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.638 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 1.3 t80 -59.99 -52.27 74.69 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.698 0.761 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.638 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 54.1 Cg_endo -69.72 148.68 65.85 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -178.42 2.36 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.653 2.235 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 43.9 -157.27 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 100.39 -92.22 1.07 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.463 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -146.61 -134.35 2.58 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.498 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -87.48 122.97 31.9 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.35 126.13 34.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.113 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.1 tpp180 -113.15 91.52 3.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.84 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.8 105.62 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 13.9 t -92.58 24.64 3.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.158 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.474 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . 161.99 -170.14 37.57 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.479 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.535 ' HB2' HD22 ' A' ' 119' ' ' LEU . 3.6 ttt -148.44 151.19 34.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.776 0.322 . . . . 0.0 110.91 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -129.83 113.55 14.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.885 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.721 ' CD2' HG13 ' A' ' 66' ' ' VAL . 6.7 mt -119.46 152.76 36.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.427 ' O ' HG23 ' A' ' 63' ' ' ILE . 11.0 mt-30 -126.94 140.83 52.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.464 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 16.0 p90 -154.43 168.39 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.953 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 71.9 p -116.94 143.0 46.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.131 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.681 HG13 ' HD2' ' A' ' 92' ' ' PRO . 98.4 t -119.1 138.94 26.76 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.676 0.75 . . . . 0.0 111.103 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.681 ' HD2' HG13 ' A' ' 91' ' ' VAL . 54.1 Cg_endo -69.75 130.65 19.71 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.654 2.236 . . . . 0.0 112.4 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.56 -49.0 0.92 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.488 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -76.36 171.51 14.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.767 0.317 . . . . 0.0 111.123 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -118.68 125.37 49.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 108.38 -161.25 13.41 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 85.3 t -124.62 138.15 55.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 111.117 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.464 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 92.7 m -100.35 152.34 20.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.193 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -125.32 151.4 46.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.428 HD11 ' CG1' ' A' ' 26' ' ' VAL . 5.0 tp -124.53 117.41 24.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.458 ' HE3' HD13 ' A' ' 69' ' ' LEU . 52.3 tttt -98.19 132.54 43.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.509 HD12 ' HB3' ' A' ' 85' ' ' MET . 73.8 mt -118.91 137.76 53.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 25.3 m -141.32 132.0 25.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.41 HG22 ' HB1' ' A' ' 115' ' ' ALA . 69.9 t -67.84 130.33 33.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.138 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 7.2 p -105.99 140.93 22.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.136 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -72.42 113.18 9.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -130.45 -42.95 1.16 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.847 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 13.9 p -135.31 148.5 28.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 38.3 m -41.71 -69.43 0.14 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.164 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.649 HG23 ' O ' ' A' ' 110' ' ' VAL . 26.8 m -91.42 96.14 6.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -140.22 -45.23 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.535 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.763 ' O ' HG23 ' A' ' 116' ' ' VAL . 13.0 mmt180 -40.04 -41.57 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.819 0.342 . . . . 0.0 110.89 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -49.79 -53.97 22.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.859 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.1 tp60 -60.85 -66.23 0.57 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.41 ' HB1' HG22 ' A' ' 104' ' ' VAL . . . -43.71 -59.14 2.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.102 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.763 HG23 ' O ' ' A' ' 112' ' ' ARG . 98.9 t -47.55 -51.4 7.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.93 -49.71 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.073 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.518 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 27.7 t90 -54.75 -40.92 69.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.535 HD22 ' HB2' ' A' ' 85' ' ' MET . 66.5 mt -61.91 -65.09 0.74 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.66 -38.23 42.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.84 41.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.4 ' SD ' HD11 ' A' ' 41' ' ' LEU . 15.4 tpt -47.9 -45.02 30.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.555 ' C ' ' HD1' ' A' ' 123' ' ' HIS . 1.3 t-80 -67.15 -47.13 71.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 15.3 mmtm -53.22 -54.89 29.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -53.0 58.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.083 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -37.38 -33.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.081 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -60.53 -54.39 46.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.926 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 52.4 mt -55.68 -45.11 77.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -48.02 -53.14 17.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -79.47 -62.59 1.64 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.903 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -63.18 177.17 0.65 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.0 t -79.2 162.62 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -106.88 126.42 52.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.853 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -104.16 126.15 51.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.6 tp60 -56.44 117.33 3.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.924 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 t -94.46 152.75 18.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -156.31 82.94 0.15 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.49 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 178.2 4.84 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.673 2.249 . . . . 0.0 112.335 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.6 t -135.49 108.94 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 34.2 t -83.98 106.56 15.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.976 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.8 p -165.48 160.09 17.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.895 0.379 . . . . 0.0 110.832 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -116.82 151.61 36.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.827 -179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.9 131.36 10.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -44.4 164.07 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.871 0.367 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.8 m -116.89 145.96 43.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.95 72.53 0.26 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -113.27 93.13 4.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.747 0.308 . . . . 0.0 111.167 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -75.91 -39.06 57.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -51.84 -43.67 63.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.921 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.429 ' O ' ' N ' ' A' ' 14' ' ' GLN . 10.6 m-85 -77.63 -42.42 34.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.964 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.432 ' HA ' HD12 ' A' ' 15' ' ' LEU . 4.7 m-20 -42.03 -32.49 0.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.909 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -68.25 -39.25 82.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' N ' ' O ' ' A' ' 11' ' ' TYR . 67.5 mt-30 -79.09 -38.01 37.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.931 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 12' ' ' ASP . 69.6 mt -50.18 -58.81 4.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 12.5 pttp -52.41 -38.11 58.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.475 ' N ' ' HG3' ' A' ' 16' ' ' LYS . 54.6 t -69.64 -37.81 75.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.114 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.574 ' HA ' ' CD1' ' A' ' 118' ' ' TRP . 12.4 mt -70.52 -66.58 0.58 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 mt -48.69 -43.07 36.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.906 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 2.0 m -46.29 -52.67 12.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.886 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 100.53 154.57 27.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.447 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.865 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -142.62 179.94 6.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 111.077 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 13.2 m -105.6 135.88 46.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.865 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 6.3 m-85 -148.26 172.48 14.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.822 HD22 ' HB2' ' A' ' 34' ' ' PRO . 13.8 mt -103.63 113.8 27.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.876 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.561 ' CG1' HD11 ' A' ' 100' ' ' LEU . 52.4 t -100.78 129.57 51.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.1 179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -112.94 126.62 55.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.131 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -97.43 140.38 31.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.68 -27.84 2.32 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 62.7 m-20 -80.1 -45.9 17.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.882 0.372 . . . . 0.0 110.945 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 98.7 p -92.85 131.87 37.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.57 -13.27 34.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -101.79 129.34 26.8 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.601 0.715 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.822 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.79 150.6 68.26 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.247 . . . . 0.0 112.364 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.598 ' C ' HD23 ' A' ' 25' ' ' LEU . 14.4 tt0 -128.33 142.26 51.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.905 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -70.41 105.1 2.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 34.8 mtp -120.59 175.55 5.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.842 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 28.3 m -119.86 128.0 53.26 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 71.7 m -119.8 122.97 42.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.915 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.8 161.32 35.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.564 HD22 ' HB2' ' A' ' 45' ' ' GLN . 7.3 mt -102.88 121.69 43.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.917 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.5 m -58.02 177.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.856 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 21.1 t-20 -42.89 135.32 3.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.894 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' O ' ' CG ' ' A' ' 45' ' ' GLN . 1.9 t-20 51.72 25.02 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.564 ' HB2' HD22 ' A' ' 41' ' ' LEU . 24.2 pt20 44.13 45.15 6.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.445 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 14.3 mmm180 -93.51 -4.27 51.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.904 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.445 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 90.5 m-85 -157.85 161.59 38.34 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 73.7 mt -119.94 133.34 55.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -119.24 151.95 37.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.884 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.653 HD11 HD11 ' A' ' 58' ' ' ILE . 15.4 mt -125.6 158.91 33.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -141.49 136.94 31.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.877 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 54' ' ' SER . . . 158.34 -151.38 22.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.5 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 52' ' ' GLY . 4.9 m-20 -36.39 -31.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.807 0.337 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.454 ' N ' ' O ' ' A' ' 52' ' ' GLY . 19.9 m -152.4 143.74 23.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -77.38 107.74 10.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.535 ' CB ' HD12 ' A' ' 50' ' ' LEU . 13.1 m-85 -104.03 168.91 8.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -148.47 116.31 6.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.653 HD11 HD11 ' A' ' 50' ' ' LEU . 44.1 mt -113.54 100.03 9.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.734 ' HB2' HG22 ' A' ' 61' ' ' VAL . 2.1 pm0 -78.53 122.25 25.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 93.2 mt -50.18 -33.25 9.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.734 HG22 ' HB2' ' A' ' 59' ' ' GLU . 18.3 m -52.66 -28.41 12.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.126 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -89.65 -48.93 6.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.9 mt -38.05 128.05 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 48.3 t -100.63 -61.39 1.37 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.4 m -103.96 149.14 25.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.175 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.595 HG13 HD23 ' A' ' 87' ' ' LEU . 85.7 t -148.54 105.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.098 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -135.33 159.15 42.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 84' ' ' GLY . 49.1 mt -108.35 135.17 47.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt -85.81 128.53 34.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.95 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 62.8 p -134.4 117.68 16.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -133.32 102.94 5.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -154.08 84.13 0.15 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.475 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.478 ' CB ' ' CD ' ' A' ' 74' ' ' PRO . 4.6 m-85 -48.17 -61.46 3.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.679 0.752 . . . . 0.0 110.9 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.478 ' CD ' ' CB ' ' A' ' 73' ' ' PHE . 54.1 Cg_endo -69.8 149.67 66.92 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.683 2.255 . . . . 0.0 112.373 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 158.01 58.54 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 2.261 . . . . 0.0 112.343 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.99 -99.39 0.66 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 132.77 -54.01 0.79 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -58.05 -106.07 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.468 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -47.39 166.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.906 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -82.48 38.25 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.107 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.5 mtp-105 42.06 35.19 0.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.839 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.66 ' HB3' HG13 ' A' ' 116' ' ' VAL . . . -99.36 103.27 15.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.111 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.2 p -85.97 -25.59 25.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.182 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.519 ' O ' HG23 ' A' ' 68' ' ' ILE . . . -171.82 -159.88 19.11 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 13.3 ttm -150.49 157.55 43.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.762 0.315 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.496 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 23.8 t80 -128.32 142.66 51.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD23 HG13 ' A' ' 66' ' ' VAL . 4.6 mt -148.21 142.87 26.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.947 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -124.51 131.57 53.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 32.5 p90 -145.91 171.4 14.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.964 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 67.6 p -119.31 145.59 46.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.14 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.465 HG13 ' HD2' ' A' ' 92' ' ' PRO . 58.1 t -104.71 133.84 19.97 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.72 . . . . 0.0 111.154 179.874 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.465 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.8 Cg_endo -69.69 95.06 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.692 2.262 . . . . 0.0 112.349 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 126.41 10.11 4.24 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.4 t -124.09 162.99 22.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.715 0.293 . . . . 0.0 111.123 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -106.35 110.63 22.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 113.88 -169.96 13.12 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.19 143.7 23.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.14 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 90.6 m -109.26 131.89 54.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 16.7 pt20 -104.13 164.8 11.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.858 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.561 HD11 ' CG1' ' A' ' 26' ' ' VAL . 6.9 tp -140.6 138.62 34.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 23.6 tttt -118.07 127.53 53.88 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.54 ' CD2' HG22 ' A' ' 26' ' ' VAL . 91.3 mt -117.39 136.89 52.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.914 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 29.0 m -140.1 145.57 37.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.181 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 33.5 t -71.24 148.36 10.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.137 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.567 HG11 ' HG ' ' A' ' 25' ' ' LEU . 16.4 m -141.71 144.49 25.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.089 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -125.71 49.57 1.92 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.845 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -99.34 -36.2 9.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 11.1 p -99.65 -28.06 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.105 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.3 m -150.39 143.36 24.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.3 t -102.83 100.88 11.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.119 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . 174.51 63.41 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 18.2 mtt85 -43.39 -42.85 4.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 41.9 mtt180 -37.5 -49.51 1.05 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 65.6 tp60 -49.37 -68.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.451 ' HB1' ' CE2' ' A' ' 24' ' ' PHE . . . -56.05 -57.66 11.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.08 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.727 ' HA ' HD12 ' A' ' 119' ' ' LEU . 82.0 t -42.55 -47.07 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.128 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.65 -46.15 81.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.574 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 12.1 t90 -65.89 -30.67 71.31 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.727 HD12 ' HA ' ' A' ' 116' ' ' VAL . 65.7 mt -66.4 -48.51 69.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 3.0 p -76.8 -35.43 24.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -61.87 -46.81 87.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.546 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.1 tmt? -50.0 -68.76 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 122' ' ' MET . 0.9 OUTLIER -37.8 -69.74 0.11 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.865 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.466 ' N ' ' HE3' ' A' ' 124' ' ' LYS . 0.1 OUTLIER -42.86 -35.67 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.485 ' HB1' ' OE1' ' A' ' 45' ' ' GLN . . . -73.37 -41.66 63.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.072 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -51.96 -35.47 46.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.107 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 38.2 mttp -64.16 -30.95 71.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.825 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 34.9 mt -71.19 -34.66 71.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.951 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.8 mt -64.39 -49.72 70.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.918 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.433 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.4 OUTLIER -83.6 -53.29 5.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 -179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -105.6 166.82 10.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 67.3 p -157.03 152.08 26.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 49.8 mmm-85 -112.29 146.08 38.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.822 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -90.95 -55.12 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.892 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -97.38 114.46 26.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 8.1 m -49.38 -65.21 0.6 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 158.0 74.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.482 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.432 ' O ' ' C ' ' A' ' 139' ' ' SER . 53.4 Cg_endo -69.81 -3.48 12.13 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.258 . . . . 0.0 112.31 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 138' ' ' PRO . 34.7 m -35.6 -44.55 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.838 -179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 55.2 p -41.42 143.32 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.85 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.493 179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 t -157.51 128.93 6.81 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.909 0.385 . . . . 0.0 110.816 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.6 p -114.28 87.16 2.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.848 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -60.37 144.4 47.4 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.55 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.3 p -61.9 145.65 52.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.891 0.377 . . . . 0.0 110.842 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.4 p -42.55 -44.22 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.823 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -162.67 -179.09 37.03 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.411 ' HB1' ' HB2' ' A' ' 11' ' ' TYR . . . -113.41 42.94 1.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.758 0.313 . . . . 0.0 111.129 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -41.47 -42.9 2.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -55.45 -53.5 55.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.666 ' CZ ' HD11 ' A' ' 128' ' ' LEU . 12.6 m-85 -61.51 -46.47 89.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.935 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.674 ' HA ' HD12 ' A' ' 15' ' ' LEU . 5.0 m-20 -41.76 -45.62 3.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 18.3 mtmm -49.92 -38.98 38.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' LEU . 2.0 mp0 -84.39 -49.18 8.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.674 HD12 ' HA ' ' A' ' 12' ' ' ASP . 82.8 mt -34.2 -61.72 0.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.65 -48.19 49.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.904 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.5 t -52.25 -44.27 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.597 HD22 HD12 ' A' ' 41' ' ' LEU . 17.7 mt -64.42 -63.96 1.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 24.3 mt -46.55 -45.08 18.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.4 t -43.26 -45.42 5.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.68 130.96 4.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.532 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.669 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -120.08 164.25 16.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.897 0.38 . . . . 0.0 111.058 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.491 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 39.5 m -95.22 147.03 23.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.122 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.669 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 34.7 m-85 -159.88 171.93 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.895 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.652 HD23 ' C ' ' A' ' 35' ' ' GLU . 15.0 mt -109.59 123.49 49.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 65.1 t -108.53 127.82 64.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.168 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 3.6 m -110.7 109.15 19.28 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.159 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 29' ' ' GLY . 51.6 m-85 -87.43 139.71 30.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.866 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.45 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . -34.24 -39.81 0.15 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.479 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 16.9 m-20 -79.17 -59.54 2.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.883 0.373 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.8 m -59.63 97.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.61 -20.55 65.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.5 ttmm -109.6 134.47 20.56 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.603 0.716 . . . . 0.0 110.905 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.576 ' HB2' HD22 ' A' ' 25' ' ' LEU . 54.5 Cg_endo -69.7 134.16 27.46 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.719 2.279 . . . . 0.0 112.35 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.652 ' C ' HD23 ' A' ' 25' ' ' LEU . 5.3 tm-20 -108.76 151.59 26.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 11.9 m -79.69 106.91 12.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 38.2 mtp -122.71 156.22 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.855 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.3 m -103.24 123.81 47.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 5.3 t -104.17 122.76 46.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 38.1 ptt180 -142.53 167.26 22.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.597 HD12 HD22 ' A' ' 18' ' ' LEU . 4.9 mt -108.98 157.29 18.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -68.42 166.91 15.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.811 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 24.5 m-80 -46.84 -44.43 19.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 96.9 m-20 -98.31 5.15 48.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 71.7 mt-30 55.69 52.18 11.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' C ' ' CG ' ' A' ' 47' ' ' TYR . 6.5 mmm180 -108.03 -7.54 16.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.432 ' O ' HD23 ' A' ' 41' ' ' LEU . 8.3 m-85 -155.97 170.27 22.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.917 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.473 HD11 ' CE ' ' A' ' 122' ' ' MET . 44.9 mt -116.6 140.98 48.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -124.48 150.51 45.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.663 HD12 ' HB3' ' A' ' 56' ' ' TYR . 16.9 mt -127.79 147.07 50.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -131.48 118.31 20.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 172.37 -124.47 1.08 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.452 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 p-10 -41.62 -48.55 4.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.767 0.317 . . . . 0.0 110.871 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.3 m -152.6 164.56 37.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -69.03 96.91 0.82 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.88 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.663 ' HB3' HD12 ' A' ' 50' ' ' LEU . 12.5 m-85 -109.42 149.57 29.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.914 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 26.0 mp0 -149.89 117.61 6.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.429 ' CD1' HD22 ' A' ' 100' ' ' LEU . 35.4 mt -100.07 103.89 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.56 ' HB3' HG22 ' A' ' 61' ' ' VAL . 1.2 mp0 -69.61 122.92 20.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 83.7 mt -58.0 -40.45 76.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.56 HG22 ' HB3' ' A' ' 59' ' ' GLU . 17.3 m -47.63 -27.33 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.169 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 28.7 m-70 -88.47 -47.11 8.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 88' ' ' GLN . 32.7 mt -42.04 131.51 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.103 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 19.0 m -105.69 -57.1 2.08 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.827 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 45.7 m -103.96 145.85 29.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.177 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.528 HG13 HD23 ' A' ' 87' ' ' LEU . 93.3 t -147.52 107.45 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.141 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -138.29 160.73 38.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.946 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.3 mt -100.95 137.58 28.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.163 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.512 HD21 ' HB2' ' A' ' 86' ' ' PHE . 76.2 mt -84.45 136.15 33.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.919 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 p -139.76 124.57 18.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -67.36 -44.21 79.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.42 -128.5 6.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.466 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -59.89 131.98 89.27 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 164.72 33.55 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.645 2.23 . . . . 0.0 112.3 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 127.92 15.29 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.696 2.264 . . . . 0.0 112.37 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.26 -68.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.516 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -163.27 82.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.471 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 148.45 -154.73 26.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.495 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -55.0 117.57 3.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.845 -179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -132.03 86.0 2.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 16.3 mmt85 -74.13 81.52 1.77 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.98 128.08 33.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 49.5 m -105.28 -39.09 6.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.171 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.472 ' CA ' ' O ' ' A' ' 102' ' ' LEU . . . -150.68 -161.32 9.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.474 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.462 ' HB2' HD22 ' A' ' 119' ' ' LEU . 2.0 tpt -144.87 153.22 41.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.848 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.512 ' HB2' HD21 ' A' ' 69' ' ' LEU . 41.6 t80 -133.36 107.58 8.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.528 HD23 HG13 ' A' ' 66' ' ' VAL . 6.6 mt -120.59 124.52 45.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.889 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.699 ' O ' HG23 ' A' ' 63' ' ' ILE . 47.5 mt-30 -101.57 154.31 18.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 9.8 p90 -169.76 163.4 9.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.429 HG22 HG22 ' A' ' 97' ' ' VAL . 69.2 p -109.91 161.39 15.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.076 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' HB ' HG22 ' A' ' 94' ' ' THR . 88.1 t -125.18 131.15 24.01 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.621 0.724 . . . . 0.0 111.166 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 107.13 1.78 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.717 2.278 . . . . 0.0 112.316 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 127.32 -41.49 1.59 Allowed Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.483 HG22 ' HB ' ' A' ' 91' ' ' VAL . 4.7 t -87.69 166.79 14.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.32 . . . . 0.0 111.123 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -111.08 118.7 36.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 121.28 -166.17 14.22 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.429 HG22 HG22 ' A' ' 90' ' ' THR . 90.0 t -126.41 142.66 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.912 0.386 . . . . 0.0 111.134 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 89.0 m -107.3 147.11 30.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.138 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -119.87 153.68 35.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.896 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.429 HD22 ' CD1' ' A' ' 58' ' ' ILE . 5.0 tp -126.66 139.1 53.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.912 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 34.6 tttt -120.53 127.96 52.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.91 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.472 ' O ' ' CA ' ' A' ' 84' ' ' GLY . 86.5 mt -115.2 141.03 48.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 12.0 m -129.73 145.27 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.8 t -66.98 134.54 29.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.1 t -121.41 144.62 29.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.8 pt-20 -95.58 120.33 35.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.819 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -148.81 176.84 10.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 28.5 m -37.54 -38.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.131 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.449 ' O ' ' C ' ' A' ' 110' ' ' VAL . 39.9 p -51.89 153.92 2.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.177 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 109' ' ' THR . 10.8 p -34.11 -40.86 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.432 ' N ' HG13 ' A' ' 110' ' ' VAL . . . 124.89 -148.76 16.84 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.442 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 113' ' ' ARG . 13.8 ttt180 -48.7 -45.01 38.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.757 0.313 . . . . 0.0 110.857 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 112' ' ' ARG . 10.0 mpt_? -38.16 -47.96 1.21 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.854 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 8.4 tp-100 -66.79 -60.81 2.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -43.74 -65.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.46 ' O ' HG12 ' A' ' 120' ' ' VAL . 89.8 t -44.0 -51.41 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.144 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -50.21 -38.81 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.59 ' CD1' HD23 ' A' ' 18' ' ' LEU . 35.6 t90 -76.93 -47.04 22.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.888 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.462 HD22 ' HB2' ' A' ' 85' ' ' MET . 72.3 mt -52.49 -48.56 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.933 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.46 HG12 ' O ' ' A' ' 116' ' ' VAL . 12.6 p -72.04 -27.49 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.116 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -64.67 -50.67 66.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.069 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.473 ' CE ' HD11 ' A' ' 48' ' ' LEU . 7.4 tpt -56.27 -52.09 65.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -56.39 -34.32 66.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.847 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 11.7 mttp -72.41 -48.47 41.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.434 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -63.63 -55.42 23.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.434 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.13 -40.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.129 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 131' ' ' GLU . 86.0 mttt -54.9 -49.31 71.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.865 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.666 HD11 ' CZ ' ' A' ' 11' ' ' TYR . 42.5 mt -56.3 -43.82 79.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.5 mt -52.44 -55.14 23.84 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -82.2 -62.68 1.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.453 ' N ' ' O ' ' A' ' 127' ' ' LYS . 22.7 mt-10 -69.48 175.95 3.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.6 m -117.65 -50.14 2.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -131.54 138.4 48.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -123.64 131.39 53.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -72.22 83.84 1.03 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 53.8 p -102.4 123.76 46.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.857 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 77.62 83.57 0.54 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.495 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 94.31 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.698 2.265 . . . . 0.0 112.371 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.7 m 52.57 46.4 26.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.881 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.9 t -62.97 -60.4 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.841 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 -179.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 t -72.56 82.02 1.1 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 110.873 -179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -54.96 148.48 13.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.12 61.88 3.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.476 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.7 p -84.61 173.52 10.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.899 0.381 . . . . 0.0 110.875 -179.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.6 m -83.51 145.79 28.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.851 -179.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.08 146.09 12.17 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -95.71 94.13 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.705 0.288 . . . . 0.0 111.089 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -79.13 -49.07 13.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.9 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -51.98 -39.81 59.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -69.91 -37.75 76.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.403 ' O ' ' N ' ' A' ' 15' ' ' LEU . 66.4 m-20 -52.96 -49.09 66.79 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.854 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -43.86 -26.25 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 17' ' ' VAL . 28.2 mm100 -85.68 -37.49 19.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.471 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.6 OUTLIER -42.57 -40.35 2.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 4.5 ptpp? -70.43 -31.4 68.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.581 HG11 ' HB1' ' A' ' 117' ' ' ALA . 55.2 t -77.61 -39.25 26.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.134 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' HB3' HD12 ' A' ' 41' ' ' LEU . 16.8 mt -62.77 -49.43 75.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 20' ' ' SER . 43.9 mt -61.61 -46.53 89.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 19' ' ' LEU . 1.8 m -36.59 -48.08 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.808 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.23 132.4 1.3 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.459 ' HB3' ' CE2' ' A' ' 24' ' ' PHE . . . -135.34 146.47 48.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.89 0.376 . . . . 0.0 111.093 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.504 ' CG2' HG23 ' A' ' 36' ' ' THR . 18.7 m -72.19 142.29 49.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.14 -179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.459 ' CE2' ' HB3' ' A' ' 22' ' ' ALA . 95.8 m-85 -148.42 160.83 42.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.67 ' HG ' HG22 ' A' ' 105' ' ' VAL . 12.0 mt -93.56 111.53 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.917 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.624 ' CG1' HD11 ' A' ' 100' ' ' LEU . 97.3 t -103.33 129.04 55.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.165 179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.532 HG23 ' O ' ' A' ' 31' ' ' SER . 14.7 m -100.5 97.66 8.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' A' ' 29' ' ' GLY . 14.6 m-85 -75.25 155.86 36.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.847 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 28' ' ' PHE . . . 37.37 -116.64 0.42 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.494 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -125.6 39.59 3.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.84 0.352 . . . . 0.0 110.892 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.532 ' O ' HG23 ' A' ' 27' ' ' THR . 38.9 t -79.77 102.18 8.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.808 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 33' ' ' LYS . 6.2 pt-20 -37.96 -37.25 0.24 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 16.5 ttmt -105.88 130.62 22.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.614 0.721 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.569 ' HG2' HD22 ' A' ' 25' ' ' LEU . 53.8 Cg_endo -69.74 -173.86 0.79 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.732 2.288 . . . . 0.0 112.343 179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -136.6 139.52 42.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.504 HG23 ' CG2' ' A' ' 23' ' ' THR . 23.3 m -64.15 107.75 1.37 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 30.7 mtp -130.95 161.27 32.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.86 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 20.4 m -107.56 131.28 54.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.167 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 m -117.98 112.6 20.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.896 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 ptp180 -147.11 165.79 28.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.83 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 18' ' ' LEU . 9.5 mt -103.08 137.37 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.915 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.1 t -62.22 165.85 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 17.7 p-10 -47.15 -39.89 14.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 -70.76 -25.48 62.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 7.8 mt-30 62.21 42.42 9.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 31.4 mtp180 -124.13 -19.45 5.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -135.09 148.59 49.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.912 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.736 HD11 ' SD ' ' A' ' 122' ' ' MET . 28.4 mt -99.39 142.23 31.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.949 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 67.6 m-85 -125.18 156.69 38.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.414 HD12 ' HB3' ' A' ' 56' ' ' TYR . 28.6 mt -126.34 154.21 43.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -138.02 109.4 6.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -167.98 -125.17 0.77 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.459 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -44.52 -42.23 7.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.837 0.351 . . . . 0.0 110.868 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 7.4 m -156.25 177.71 11.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -70.81 103.89 2.74 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.414 ' HB3' HD12 ' A' ' 50' ' ' LEU . 12.1 m-85 -122.98 157.94 31.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 3.6 pm0 -156.98 138.84 14.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.492 ' CG2' HD11 ' A' ' 63' ' ' ILE . 72.1 mt -105.06 100.1 9.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.434 ' HB3' HG22 ' A' ' 61' ' ' VAL . 10.2 mt-10 -64.54 101.25 0.43 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.84 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.406 ' O ' ' C ' ' A' ' 61' ' ' VAL . 58.4 mt -43.38 -51.6 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.085 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.434 HG22 ' HB3' ' A' ' 59' ' ' GLU . 7.0 m -36.34 -38.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ILE . 55.1 m-70 -75.62 -54.76 6.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.492 HD11 ' CG2' ' A' ' 58' ' ' ILE . 50.4 mt -33.99 121.94 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.129 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 54.3 p -101.14 -56.01 2.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.793 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 59.4 m -103.94 141.46 36.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.649 HG13 ' CD2' ' A' ' 87' ' ' LEU . 74.5 t -144.82 105.03 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.0 pt20 -133.4 160.68 36.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 84.5 mt -106.37 140.92 22.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 46.4 mt -95.26 122.46 37.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 81.6 p -106.2 146.74 29.9 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -69.08 69.99 0.21 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 127.25 134.53 3.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -48.74 105.87 0.55 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.648 0.737 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 129.26 17.32 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.664 2.243 . . . . 0.0 112.348 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 1.1 4.73 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.683 2.256 . . . . 0.0 112.36 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 125.41 -71.87 0.45 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.467 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -127.51 117.42 2.65 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.449 -179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 79' ' ' ASN . . . -172.02 117.38 0.67 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.469 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 78' ' ' GLY . 1.2 t30 -37.82 107.39 0.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.801 0.334 . . . . 0.0 110.859 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -144.91 148.91 34.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.085 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -95.03 118.92 32.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -58.72 113.58 2.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 8.5 t -92.07 -38.95 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.125 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -125.44 179.52 16.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.461 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.54 ' HB2' HD22 ' A' ' 119' ' ' LEU . 1.0 OUTLIER -148.0 154.81 40.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.403 ' N ' ' HG3' ' A' ' 85' ' ' MET . 8.5 t80 -139.99 128.47 22.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.649 ' CD2' HG13 ' A' ' 66' ' ' VAL . 28.6 mt -135.26 165.53 25.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -142.36 135.54 28.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -159.55 156.34 27.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 -179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 36.0 p -99.17 142.46 30.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.153 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.666 HG13 ' HD2' ' A' ' 92' ' ' PRO . 87.4 t -110.16 138.86 20.95 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.597 0.713 . . . . 0.0 111.167 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.666 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.4 Cg_endo -69.76 133.13 24.82 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.695 2.263 . . . . 0.0 112.325 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 99.46 -43.54 1.8 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.518 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.46 ' CG2' ' HB ' ' A' ' 91' ' ' VAL . 14.8 t -82.07 168.91 17.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.788 0.328 . . . . 0.0 111.153 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -116.48 125.89 52.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.42 -165.97 12.13 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.492 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 98.6 t -116.97 134.68 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.923 0.392 . . . . 0.0 111.115 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 94.1 m -109.09 129.44 55.47 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.161 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 2.5 pm0 -110.82 147.85 33.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.624 HD11 ' CG1' ' A' ' 26' ' ' VAL . 3.0 tp -116.8 159.41 22.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.954 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -138.13 145.41 41.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.931 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.408 HD23 HG22 ' A' ' 26' ' ' VAL . 7.1 mt -131.5 135.6 47.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.1 m -138.51 148.21 44.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.168 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 88.4 t -67.38 130.82 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.106 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.67 HG22 ' HG ' ' A' ' 25' ' ' LEU . 42.3 t -93.16 138.42 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -88.57 38.77 0.88 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -86.2 170.73 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.862 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 34.5 m -50.09 166.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.583 HG22 ' O ' ' A' ' 109' ' ' THR . 16.6 m 62.24 30.51 17.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.438 ' C ' ' O ' ' A' ' 109' ' ' THR . 29.8 m -33.8 131.98 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -151.71 59.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.508 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.3 tpp85 -46.05 -55.15 7.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.805 0.336 . . . . 0.0 110.879 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 41.1 mtt180 -47.83 -42.77 27.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.447 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 41.7 tp60 -63.76 -63.01 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.56 -63.21 1.07 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 93.6 t -48.53 -44.04 13.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.581 ' HB1' HG11 ' A' ' 17' ' ' VAL . . . -49.69 -50.35 44.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.053 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 13.0 t90 -64.21 -48.34 76.25 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.54 HD22 ' HB2' ' A' ' 85' ' ' MET . 97.3 mt -50.29 -46.24 55.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.456 HG12 ' O ' ' A' ' 117' ' ' ALA . 9.4 p -74.21 -36.04 42.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.162 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -57.72 -54.79 42.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.08 179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.736 ' SD ' HD11 ' A' ' 48' ' ' LEU . 7.6 tpt -49.21 -60.33 2.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.902 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -46.37 -48.75 18.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 19.6 mmmt -53.21 -47.45 68.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.915 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -63.54 -46.81 84.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.1 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -50.67 -45.1 57.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.107 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? -53.22 -49.96 65.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.3 mt -61.6 -42.79 99.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.931 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 13.1 mt -49.06 -60.21 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.916 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -80.72 -62.6 1.62 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -95.54 176.06 6.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 1.1 t -139.48 158.6 43.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.886 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 133' ' ' ARG . 5.2 mmm180 -123.02 120.76 34.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -113.04 85.37 2.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -111.58 166.94 10.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 2.4 m -130.39 153.78 48.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.83 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 91.53 155.35 31.66 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.507 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 164.0 36.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.242 . . . . 0.0 112.361 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 6.1 t -130.25 120.24 24.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 39.0 t -112.39 92.25 3.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.802 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.451 -179.995 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -77.96 136.62 38.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.854 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -158.76 147.36 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.835 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.23 52.79 4.38 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.449 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.6 m -66.34 99.89 0.59 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.873 0.368 . . . . 0.0 110.857 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.0 p -82.2 148.93 28.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.65 -137.84 9.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.467 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.438 ' O ' ' C ' ' A' ' 9' ' ' GLU . . . 59.71 40.38 19.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.711 0.291 . . . . 0.0 111.067 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 8' ' ' ALA . 0.5 OUTLIER -35.19 -58.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -42.41 -55.51 3.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.837 ' CE2' HD21 ' A' ' 15' ' ' LEU . 2.5 t80 -59.97 -52.5 65.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.418 ' HA ' HD12 ' A' ' 15' ' ' LEU . 1.2 m-20 -37.93 -27.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.501 ' N ' ' O ' ' A' ' 11' ' ' TYR . 17.8 mmmt -63.02 -59.59 4.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.442 ' CD ' ' HA ' ' A' ' 11' ' ' TYR . 4.8 pm0 -69.17 -17.77 63.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.837 HD21 ' CE2' ' A' ' 11' ' ' TYR . 17.8 mt -67.29 -71.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.955 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.2 pttt -47.2 -38.76 12.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 38.5 t -61.63 -43.98 97.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.106 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.746 ' HB3' HD12 ' A' ' 41' ' ' LEU . 36.1 mt -66.54 -60.94 2.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.929 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 69.6 mt -39.06 -54.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 5.8 t -44.01 -52.93 6.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.827 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 93.92 154.81 31.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.578 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -137.9 139.68 39.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.855 0.36 . . . . 0.0 111.077 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.523 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 5.2 m -69.32 130.7 43.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.124 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.578 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 23.8 m-85 -141.17 172.8 12.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.918 HD22 ' HB2' ' A' ' 34' ' ' PRO . 11.9 mt -105.16 116.94 32.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.931 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.05 132.78 46.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.126 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.7 m -118.91 135.73 54.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.101 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -113.44 160.12 18.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -65.21 -11.5 52.24 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.465 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -97.07 -36.25 10.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.6 p -96.79 119.56 35.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.5 -7.67 57.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.888 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -118.7 138.26 25.75 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.563 0.696 . . . . 0.0 110.885 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.918 ' HB2' HD22 ' A' ' 25' ' ' LEU . 53.4 Cg_endo -69.77 145.36 56.86 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.251 . . . . 0.0 112.35 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' C ' HD23 ' A' ' 25' ' ' LEU . 4.3 tp10 -120.12 140.66 50.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.6 m -70.87 109.63 5.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.187 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 54.6 mtp -128.79 153.97 46.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.5 m -93.09 147.55 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 34.6 m -135.39 126.76 28.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 14.4 ptt180 -155.94 166.5 33.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.746 HD12 ' HB3' ' A' ' 18' ' ' LEU . 4.4 mt -103.62 150.59 23.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.7 p -66.9 169.76 7.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -47.77 -40.36 20.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 45.0 m-20 -92.08 -13.74 30.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 66.67 39.96 3.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -104.24 -19.32 14.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -135.79 155.26 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.1 mt -106.09 140.07 39.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.918 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.465 ' O ' HD23 ' A' ' 50' ' ' LEU . 14.7 m-85 -118.94 144.94 46.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.562 HD11 HD12 ' A' ' 58' ' ' ILE . 38.0 mt -131.34 120.0 22.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -111.4 138.4 47.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.87 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 159.63 -133.7 3.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.525 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.15 -47.45 3.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.776 0.322 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.5 m -146.15 158.08 43.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.526 ' O ' ' CG ' ' A' ' 55' ' ' HIS . 13.5 p80 -73.33 115.02 12.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.898 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -124.41 150.34 45.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -146.17 112.98 6.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.562 HD12 HD11 ' A' ' 50' ' ' LEU . 33.9 mt -107.54 102.83 14.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.1 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -71.31 132.65 45.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.516 ' O ' HG22 ' A' ' 60' ' ' ILE . 73.6 mt -64.49 -8.4 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.092 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 12.6 m -77.94 -27.01 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.137 179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 56.6 m-70 -91.3 -25.31 19.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 88' ' ' GLN . 23.9 mt -61.65 135.69 25.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 22.8 t -111.39 -53.96 2.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 37.3 m -109.38 141.48 41.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.529 HG13 HD23 ' A' ' 87' ' ' LEU . 70.3 t -143.23 106.79 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.101 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -137.98 156.83 47.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 77.7 mt -104.05 137.29 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.138 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 49.3 mt -85.56 111.02 19.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 67.0 p -123.78 108.54 12.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.127 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 5.5 tm-20 -47.87 150.2 1.16 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.911 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.441 ' N ' ' CD ' ' A' ' 71' ' ' GLU . . . 128.81 77.58 0.21 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.494 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 3.1 m-85 -47.23 -60.19 4.36 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.707 0.765 . . . . 0.0 110.866 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.8 167.92 23.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.633 2.222 . . . . 0.0 112.338 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 160.33 50.12 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.53 -127.94 2.55 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 158.73 -42.85 0.48 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.494 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -123.16 -43.59 0.35 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.515 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -82.14 111.79 18.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.826 0.346 . . . . 0.0 110.915 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -167.51 117.51 0.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.077 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.438 ' HD3' ' N ' ' A' ' 81' ' ' ARG . 1.4 mpp_? -120.29 126.29 50.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.03 116.1 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.9 p -99.67 -24.93 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -170.03 169.96 42.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.496 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 2.6 tpp -122.75 147.2 46.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.826 0.346 . . . . 0.0 110.849 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -124.61 121.46 34.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.529 HD23 HG13 ' A' ' 66' ' ' VAL . 4.0 mt -130.68 140.78 50.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.53 ' O ' HG23 ' A' ' 63' ' ' ILE . 9.5 mt-30 -116.95 139.54 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.918 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.438 ' CE2' HD13 ' A' ' 58' ' ' ILE . 11.1 p90 -158.35 146.16 18.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.917 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.859 HG22 HG22 ' A' ' 97' ' ' VAL . 40.8 p -95.49 137.27 34.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.095 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.493 HG13 ' HD2' ' A' ' 92' ' ' PRO . 68.7 t -85.99 134.35 39.29 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.579 0.704 . . . . 0.0 111.146 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . 0.493 ' HD2' HG13 ' A' ' 91' ' ' VAL . 53.5 Cg_endo -69.76 104.73 1.36 Allowed 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 105.84 21.15 8.8 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -142.91 145.89 33.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.731 0.3 . . . . 0.0 111.124 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -90.53 123.81 34.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 112.61 161.02 15.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.859 HG22 HG22 ' A' ' 90' ' ' THR . 87.9 t -104.53 140.6 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 111.115 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.41 HG22 ' N ' ' A' ' 99' ' ' GLN . 86.5 m -105.37 153.55 21.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.156 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.481 ' NE2' ' O ' ' A' ' 97' ' ' VAL . 3.3 mp0 -119.9 164.22 16.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.5 tp -136.62 136.4 39.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 8.1 tmtt? -123.72 134.0 53.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 179.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 70.7 mt -123.09 152.01 41.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.928 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 26.5 m -141.61 147.49 37.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.137 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.433 HG11 ' HD3' ' A' ' 112' ' ' ARG . 61.7 t -72.8 124.19 29.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -116.92 9.3 7.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.069 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -119.78 89.72 3.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 7.7 p30 -112.33 70.98 0.73 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.826 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.405 ' O ' ' C ' ' A' ' 109' ' ' THR . 16.4 m -125.86 -175.59 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.127 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.405 ' C ' ' O ' ' A' ' 108' ' ' VAL . 17.9 p -37.79 -56.11 1.12 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.157 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.523 ' O ' HG12 ' A' ' 110' ' ' VAL . 68.9 t -126.65 66.79 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.152 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -122.35 -60.73 0.21 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.513 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.433 ' HD3' HG11 ' A' ' 104' ' ' VAL . 12.0 tpp180 -42.89 -49.25 5.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.816 0.341 . . . . 0.0 110.88 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 38.9 mmt180 -49.4 -56.4 9.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.403 ' O ' ' HB3' ' A' ' 117' ' ' ALA . 37.3 tp60 -51.96 -64.31 0.86 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.425 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -44.19 -68.57 0.19 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.104 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 88.5 t -43.0 -50.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 114' ' ' GLN . . . -45.9 -48.94 16.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 30.6 t90 -66.14 -46.26 78.12 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.966 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 15.3 mt -53.02 -55.27 24.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.492 HG13 ' N ' ' A' ' 121' ' ' ALA . 6.0 p -67.55 -43.79 86.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.123 179.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.492 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -57.03 -27.94 62.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.082 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 9.0 tpt -68.73 -61.82 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -57.85 -47.56 82.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.862 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.9 mmtm -55.13 -51.33 66.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.412 ' HB1' ' OH ' ' A' ' 11' ' ' TYR . . . -73.17 -21.78 60.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.072 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.594 ' O ' ' CE1' ' A' ' 130' ' ' TYR . . . -72.12 -22.46 61.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 44.3 mtmt -70.94 -57.55 4.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.558 HD12 ' CE1' ' A' ' 11' ' ' TYR . 13.6 mt -37.81 -33.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.962 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 mt -57.15 -61.63 2.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.594 ' CE1' ' O ' ' A' ' 126' ' ' ALA . 11.4 p90 -97.5 -54.2 3.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -42.28 -23.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.888 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 130' ' ' TYR . 1.3 t -48.36 159.34 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.847 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -104.45 145.43 30.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -66.53 139.13 57.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 48.9 tp60 -76.04 -50.33 15.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 46.9 t -55.54 -37.56 68.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -106.6 84.4 0.39 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 1.71 4.23 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.678 2.252 . . . . 0.0 112.32 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.1 t -81.93 116.65 21.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 19.4 m -100.63 118.81 37.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.844 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.473 -179.98 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 N-CA-C 112.479 -0.248 . . . . 0.0 112.479 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 69.8 m -119.71 98.01 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.858 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.3 t -79.95 129.38 34.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.864 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.428 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 111.18 -47.48 1.04 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' C ' ' O ' ' A' ' 4' ' ' GLY . 5.8 t -36.04 113.66 0.23 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.914 0.387 . . . . 0.0 110.841 -179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 51.1 m -78.21 131.35 37.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.817 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.56 68.6 1.08 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.477 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -112.57 92.2 3.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.727 0.299 . . . . 0.0 111.105 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' O ' ' C ' ' A' ' 10' ' ' PHE . 10.8 mp0 -132.03 -41.01 1.03 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 9' ' ' GLU . 33.8 t80 -37.17 -47.64 0.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.867 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.463 ' O ' ' N ' ' A' ' 14' ' ' GLN . 64.4 t80 -94.92 -53.44 3.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -40.5 -50.5 2.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.786 ' O ' HG23 ' A' ' 17' ' ' VAL . 16.9 mmmt -59.19 -32.57 70.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' N ' ' O ' ' A' ' 11' ' ' TYR . 35.4 mt-30 -77.35 -56.01 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.968 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.791 ' C ' HD12 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -54.95 -43.68 73.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.885 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.77 ' N ' HD12 ' A' ' 15' ' ' LEU . 2.7 ptmm? -59.55 -37.15 77.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.828 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.786 HG23 ' O ' ' A' ' 13' ' ' LYS . 58.4 t -67.86 -43.37 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.15 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.729 HD13 ' CD1' ' A' ' 41' ' ' LEU . 49.3 mt -57.94 -41.89 83.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 74.9 mt -66.86 -51.05 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.924 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 36.7 t -40.45 -45.58 2.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 89.67 126.6 3.03 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.683 ' HB3' ' CE1' ' A' ' 24' ' ' PHE . . . -121.09 165.37 15.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 0.0 111.084 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.436 ' C ' ' CD1' ' A' ' 24' ' ' PHE . 47.7 m -95.51 146.88 24.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.153 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.683 ' CE1' ' HB3' ' A' ' 22' ' ' ALA . 37.5 m-85 -157.58 150.1 22.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.893 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.855 HD22 ' HB2' ' A' ' 34' ' ' PRO . 10.8 mt -84.43 104.07 14.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 92.7 t -92.41 108.34 20.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.144 179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.2 m -93.43 123.06 36.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.12 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.49 ' O ' ' N ' ' A' ' 32' ' ' GLU . 26.3 m-85 -89.97 142.5 27.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -66.29 -32.22 81.39 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.47 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p30 -72.73 -41.95 64.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.799 0.333 . . . . 0.0 110.883 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 33' ' ' LYS . 1.6 m -94.42 -7.27 42.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.49 ' N ' ' O ' ' A' ' 28' ' ' PHE . 13.2 mt-10 38.82 24.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' N ' ' O ' ' A' ' 31' ' ' SER . 4.2 ttmt -128.52 137.01 30.0 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.602 0.715 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . 0.855 ' HB2' HD22 ' A' ' 25' ' ' LEU . 54.0 Cg_endo -69.75 159.45 53.37 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.688 2.259 . . . . 0.0 112.374 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 50.6 tt0 -149.2 143.95 26.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.1 m -78.67 104.58 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.18 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.1 mtp -130.49 168.76 16.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 36.5 m -115.46 130.77 56.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.165 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -115.8 114.07 24.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.905 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -135.54 165.26 25.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.861 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.729 ' CD1' HD13 ' A' ' 18' ' ' LEU . 8.5 mt -102.88 146.07 28.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.8 t -60.11 178.02 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -52.53 -44.29 65.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -103.62 22.32 14.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.436 ' HB3' HD13 ' A' ' 41' ' ' LEU . 10.8 mp0 41.47 45.38 2.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.9 mtt180 -107.97 -25.88 10.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -132.09 144.14 50.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.8 mt -102.22 157.29 17.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -148.13 156.12 42.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.3 mt -129.37 159.76 35.2 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -135.74 124.15 23.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.874 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 171.15 -134.28 3.04 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.408 ' C ' ' O ' ' A' ' 52' ' ' GLY . 18.2 p-10 -37.69 -46.02 0.85 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.863 0.363 . . . . 0.0 110.928 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 67.3 m -153.06 177.78 10.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.86 -179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.424 ' CD2' ' H ' ' A' ' 55' ' ' HIS . 7.1 p80 -77.95 119.76 21.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.82 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -130.16 152.5 49.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.975 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -154.79 132.39 11.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.874 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 43.6 mt -112.27 99.98 9.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.146 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.648 ' HB3' HG22 ' A' ' 61' ' ' VAL . 4.4 mt-10 -63.62 112.84 2.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.629 ' HA ' HD12 ' A' ' 63' ' ' ILE . 80.1 mt -48.06 -40.55 9.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.144 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.648 HG22 ' HB3' ' A' ' 59' ' ' GLU . 34.0 m -50.02 -30.09 6.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.138 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 52.6 m-70 -82.88 -47.45 11.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.655 HG23 ' O ' ' A' ' 88' ' ' GLN . 78.7 mt -42.14 134.44 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.132 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -111.4 -36.16 5.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 85.1 m -121.73 143.86 49.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.543 HG13 ' CD2' ' A' ' 87' ' ' LEU . 89.9 t -146.87 105.18 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.116 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -135.89 156.92 48.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.435 HD11 ' CB ' ' A' ' 123' ' ' HIS . 67.5 mt -102.96 143.63 14.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.121 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.501 HD11 ' HG3' ' A' ' 101' ' ' LYS . 93.7 mt -89.93 109.84 20.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.425 HG22 ' HA ' ' A' ' 82' ' ' ALA . 82.6 p -121.19 127.82 51.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -121.65 121.75 38.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.405 ' O ' ' HD3' ' A' ' 74' ' ' PRO . . . 94.46 -67.24 1.4 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.422 ' HA ' ' HD2' ' A' ' 74' ' ' PRO . 83.9 t80 -102.51 96.68 7.69 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.651 0.739 . . . . 0.0 110.891 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 73' ' ' PHE . 53.7 Cg_endo -69.78 161.27 46.57 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 0.0 112.359 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.14 18.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.733 2.288 . . . . 0.0 112.335 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -153.98 -95.05 0.11 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.495 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -116.64 139.25 15.03 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.495 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ASN . . . 70.22 -174.34 37.84 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.498 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.406 ' C ' ' O ' ' A' ' 78' ' ' GLY . 77.2 m-20 -38.04 149.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.87 0.367 . . . . 0.0 110.863 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -121.52 130.34 53.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.086 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -86.27 87.4 7.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.425 ' HA ' HG22 ' A' ' 70' ' ' THR . . . -92.79 121.87 34.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.104 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 70.6 p -103.28 38.52 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 147.62 176.68 21.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.44 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.771 ' HB3' HD12 ' A' ' 102' ' ' LEU . 2.1 tpt -141.06 152.26 44.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.338 . . . . 0.0 110.877 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -135.28 112.82 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.878 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.543 ' CD2' HG13 ' A' ' 66' ' ' VAL . 14.1 mt -124.87 149.65 47.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.91 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.655 ' O ' HG23 ' A' ' 63' ' ' ILE . 30.0 mt-30 -123.83 154.82 39.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.479 ' CE1' ' HB ' ' A' ' 98' ' ' THR . 17.1 p90 -169.54 154.25 5.5 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.543 HG22 HG22 ' A' ' 97' ' ' VAL . 27.0 p -111.52 142.1 44.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 54.6 t -110.25 130.3 23.0 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.59 0.709 . . . . 0.0 111.163 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.85 3.84 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.52 -41.41 1.99 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 t -88.33 152.13 22.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 0.0 111.151 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -94.31 128.17 40.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 105.2 179.62 24.06 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.496 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 90' ' ' THR . 77.4 t -113.9 146.19 18.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.877 0.37 . . . . 0.0 111.099 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.479 ' HB ' ' CE1' ' A' ' 89' ' ' TYR . 90.6 m -108.26 130.11 55.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -104.47 171.67 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.933 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.2 tp -144.21 120.19 10.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.501 ' HG3' HD11 ' A' ' 69' ' ' LEU . 7.5 ttpt -114.28 124.1 51.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.771 HD12 ' HB3' ' A' ' 85' ' ' MET . 47.6 mt -108.21 146.75 32.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 21.7 m -142.64 150.45 40.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.739 HG11 ' HG2' ' A' ' 112' ' ' ARG . 89.3 t -73.74 140.62 17.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.21 141.26 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -73.17 98.24 2.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 35.0 p30 -122.46 176.68 5.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.915 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 109' ' ' THR . 7.8 p -84.73 -40.67 15.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.141 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.44 ' O ' ' C ' ' A' ' 110' ' ' VAL . 23.4 p -121.61 178.03 5.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.178 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 109' ' ' THR . 32.9 m 33.93 42.12 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.094 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -61.29 -125.27 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.487 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.739 ' HG2' HG11 ' A' ' 104' ' ' VAL . 7.9 mtt85 -66.99 -48.23 69.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 0.0 110.919 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -38.16 -44.1 0.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.864 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 33.4 tp60 -77.98 -45.66 23.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -63.79 -64.64 0.84 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.856 ' HA ' HD12 ' A' ' 119' ' ' LEU . 91.0 t -48.15 -47.52 13.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -53.3 -44.02 67.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.123 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.571 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 17.5 t90 -67.45 -45.67 75.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.938 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.856 HD12 ' HA ' ' A' ' 116' ' ' VAL . 27.2 mt -49.46 -59.92 3.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.878 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.4 p -62.07 -43.53 97.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.455 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -51.41 -44.43 62.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.08 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 4.3 tpt -58.9 -60.99 2.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.873 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.456 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 3.5 t-80 -52.1 -61.34 2.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp -39.13 -61.67 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -57.44 -46.47 83.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.456 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -39.5 -42.49 1.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.074 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 6.0 mtpm? -50.01 -56.85 9.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.898 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 59.3 mt -51.26 -53.23 37.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 12.6 mt -40.22 -61.67 0.86 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -76.06 -63.01 1.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -50.82 170.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.869 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 60.4 p -38.26 155.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -138.22 117.19 12.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.865 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -40.44 123.29 1.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.6 tt0 -124.68 165.51 17.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 49.0 m -131.28 -55.03 1.03 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.846 -179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -53.28 143.34 26.7 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 144.35 53.92 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.745 2.296 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 p -115.61 131.8 56.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.3 t -127.16 162.25 26.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.446 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.4 p -88.14 172.99 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.888 0.375 . . . . 0.0 110.825 -179.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.2 t -41.81 141.46 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.42 134.64 3.38 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.52 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.6 m -74.03 178.03 5.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.856 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m -132.69 -55.73 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 175.04 -107.64 0.25 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.508 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . 59.66 48.05 9.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.734 0.302 . . . . 0.0 111.08 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -45.2 -49.83 11.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -47.23 -43.41 21.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.906 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.421 ' O ' ' C ' ' A' ' 12' ' ' ASP . 59.5 m-85 -68.74 -53.82 19.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.923 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 11' ' ' TYR . 77.0 m-20 -36.36 -36.84 0.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.848 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 22.0 mtpt -72.85 -50.0 26.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -53.6 -22.37 8.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.887 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -46.2 -71.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -47.3 -39.85 15.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.622 HG13 HE21 ' A' ' 114' ' ' GLN . 62.6 t -59.71 -46.93 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.46 HD22 HD12 ' A' ' 41' ' ' LEU . 95.0 mt -63.1 -58.81 6.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.4 mt -55.52 -52.84 62.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.0 p -42.01 -50.93 4.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.881 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.91 146.24 5.51 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.562 ' HB3' ' CZ ' ' A' ' 24' ' ' PHE . . . -132.39 164.31 26.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.844 0.354 . . . . 0.0 111.129 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 20.6 m -83.64 144.42 29.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.148 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.562 ' CZ ' ' HB3' ' A' ' 22' ' ' ALA . 48.1 m-85 -148.93 150.83 33.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.412 ' HA ' HD23 ' A' ' 25' ' ' LEU . 12.7 mt -93.35 108.49 20.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.935 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.609 HG22 ' CD2' ' A' ' 102' ' ' LEU . 58.4 t -95.91 122.35 47.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.12 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.1 m -106.51 101.91 11.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.147 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -75.63 147.64 39.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -41.44 -48.86 4.74 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -74.21 -51.86 14.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.919 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 m -62.85 87.73 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -52.91 -30.22 33.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 tttt -103.21 135.24 19.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.899 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 142.59 48.29 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.3 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -114.25 155.49 26.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 32.0 m -81.23 111.44 17.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.14 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 9.2 mtp -125.68 176.5 6.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.903 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 85.3 m -127.13 131.22 50.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.167 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 14.5 t -122.95 119.4 30.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -142.22 164.03 31.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 47' ' ' TYR . 3.9 mt -104.69 132.73 50.58 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.474 ' HB2' ' CE1' ' A' ' 49' ' ' PHE . 6.0 t -59.34 177.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.1 m-80 -52.87 -48.68 66.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 42.3 p30 -60.4 -19.63 56.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.446 ' NE2' ' HB2' ' A' ' 18' ' ' LEU . 29.7 mt-30 52.37 42.04 30.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.74 ' O ' HD12 ' A' ' 60' ' ' ILE . 23.1 mmt180 -124.7 -24.37 4.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.606 ' O ' HD23 ' A' ' 41' ' ' LEU . 72.8 m-85 -120.51 147.7 44.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.936 -179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.2 mt -98.59 147.21 25.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.474 ' CE1' ' HB2' ' A' ' 42' ' ' SER . 68.9 m-85 -136.82 144.01 43.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.883 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.758 HD11 HD11 ' A' ' 58' ' ' ILE . 14.7 mt -115.4 160.76 19.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -149.17 128.69 13.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 165.04 -133.6 3.04 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' GLY . 17.0 m-20 -34.46 -43.9 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 35.4 m -152.82 171.92 17.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -76.49 110.39 11.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.821 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.744 ' HB3' HD12 ' A' ' 50' ' ' LEU . 9.2 m-85 -121.17 157.27 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.911 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' C ' ' A' ' 56' ' ' TYR . 36.1 mt-10 -150.92 124.24 8.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.842 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.758 HD11 HD11 ' A' ' 50' ' ' LEU . 40.8 mt -106.85 100.04 9.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -67.13 109.04 2.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.915 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.74 HD12 ' O ' ' A' ' 46' ' ' ARG . 49.4 mt -48.74 -47.13 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.11 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.412 ' H ' HG13 ' A' ' 61' ' ' VAL . 3.2 m -48.42 -36.46 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.096 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 12.0 m-70 -74.24 -38.62 63.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.431 HD12 ' HA ' ' A' ' 60' ' ' ILE . 49.3 mt -51.6 122.2 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.076 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 33.2 t -95.63 -54.05 3.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 63.6 m -104.03 145.32 30.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.42 HG13 ' CD2' ' A' ' 87' ' ' LEU . 83.9 t -144.26 105.19 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -133.4 160.67 36.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.591 HD11 ' HB2' ' A' ' 123' ' ' HIS . 96.4 mt -107.16 134.31 49.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.503 HD13 ' HE2' ' A' ' 101' ' ' LYS . 94.8 mt -84.05 124.65 31.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 26.3 p -131.21 137.95 49.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -75.59 165.2 25.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 88.18 95.19 0.99 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.509 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.565 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 13.8 m-85 -58.35 -56.31 36.63 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.638 0.732 . . . . 0.0 110.853 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.565 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.2 Cg_endo -69.83 129.98 18.47 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.319 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 172.22 13.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.675 2.25 . . . . 0.0 112.301 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.71 -65.64 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . 142.0 57.25 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 128.05 40.17 0.32 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.453 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.401 ' O ' ' CG ' ' A' ' 79' ' ' ASN . 1.8 p30 -66.58 117.17 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.86 0.362 . . . . 0.0 110.852 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -115.08 36.53 3.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -122.35 152.69 39.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.97 112.83 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.163 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 83' ' ' THR . 12.3 t -123.54 43.36 2.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 177.84 176.61 45.98 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.534 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.456 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.6 ttm -162.6 133.99 5.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.429 ' CZ ' ' HB3' ' A' ' 99' ' ' GLN . 34.1 t80 -121.78 114.35 20.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.42 ' CD2' HG13 ' A' ' 66' ' ' VAL . 15.5 mt -119.04 155.12 32.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 -133.23 131.62 40.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.882 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.403 ' OH ' HD13 ' A' ' 100' ' ' LEU . 9.9 p90 -146.87 165.45 29.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.8 p -114.86 140.2 49.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.121 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.8 t -102.76 128.81 27.1 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.617 0.722 . . . . 0.0 111.148 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 116.41 4.55 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.662 2.242 . . . . 0.0 112.317 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 119.77 -32.99 4.78 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.4 t -96.56 169.39 9.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.767 0.318 . . . . 0.0 111.117 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -112.98 117.45 32.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 120.91 -178.63 16.4 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.421 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 87.0 t -114.4 143.99 22.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.941 0.401 . . . . 0.0 111.158 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 67.6 m -111.28 132.19 54.56 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.429 ' HB3' ' CZ ' ' A' ' 86' ' ' PHE . 61.1 mt-30 -106.48 145.09 32.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.469 HD11 ' CG1' ' A' ' 26' ' ' VAL . 13.2 tp -120.01 131.78 55.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.503 ' HE2' HD13 ' A' ' 69' ' ' LEU . 50.4 tttm -115.71 132.24 56.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.919 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.609 ' CD2' HG22 ' A' ' 26' ' ' VAL . 63.1 mt -121.88 145.31 48.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.5 m -144.01 133.59 23.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.124 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.435 HG11 ' HD3' ' A' ' 112' ' ' ARG . 96.7 t -71.62 133.68 31.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 11.2 p -108.44 154.56 9.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 18.2 pt-20 -111.02 131.61 54.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.858 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -156.63 169.48 24.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.826 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 27.8 m -45.49 -38.8 2.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.165 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 8.2 m -74.16 151.61 40.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.128 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 110' ' ' VAL . 11.9 p -84.92 124.59 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' ARG . . . -142.24 -39.95 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.623 ' O ' HG23 ' A' ' 116' ' ' VAL . 10.6 tpp180 -35.08 -50.45 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.799 0.333 . . . . 0.0 110.886 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 10.0 mmp_? -57.84 -56.01 27.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.622 HE21 HG13 ' A' ' 17' ' ' VAL . 10.1 tp60 -59.5 -60.76 3.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -46.57 -66.58 0.38 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.12 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 112' ' ' ARG . 88.8 t -44.22 -47.37 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.113 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.6 -35.95 82.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.076 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . . . . . . . . . 41.7 t90 -69.9 -46.24 65.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.893 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.474 HD12 ' HA ' ' A' ' 116' ' ' VAL . 33.2 mt -52.13 -49.71 63.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.94 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.514 HG13 ' N ' ' A' ' 121' ' ' ALA . 14.5 p -70.48 -45.04 76.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.514 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -54.05 -47.73 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 11.7 tpt -58.17 -53.45 58.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.591 ' HB2' HD11 ' A' ' 68' ' ' ILE . 35.3 t-80 -49.47 -55.03 14.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.868 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.442 ' HD3' HG22 ' A' ' 120' ' ' VAL . 9.8 mptt -53.87 -44.28 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 126' ' ' ALA . . . -64.87 -64.99 0.73 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.125 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 125' ' ' ALA . . . -35.31 -42.67 0.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.116 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.7 mmtp -51.87 -55.81 17.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -55.37 -48.9 73.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.875 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.701 HD13 HG21 ' A' ' 60' ' ' ILE . 12.7 mt -42.46 -59.67 1.78 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -78.78 -62.73 1.6 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.92 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -59.95 178.5 0.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 25.8 t -86.35 168.5 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.01 144.11 28.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.855 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -111.27 119.32 38.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -88.43 42.54 1.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 32.9 m -39.88 -55.39 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 117.44 144.16 7.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.515 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -25.1 29.0 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.713 2.275 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 28.9 p -139.68 175.71 9.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.827 -179.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.6 t -82.66 135.14 35.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.482 -179.963 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.511 -0.235 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.1 p -111.41 132.15 54.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m 45.42 47.76 10.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.37 -142.46 3.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.482 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.2 t -141.24 144.45 34.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.905 0.383 . . . . 0.0 110.822 -179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.1 p -100.22 130.71 46.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.21 79.59 0.48 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.522 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -124.67 84.58 2.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.787 0.327 . . . . 0.0 111.08 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.5 -38.57 5.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.941 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -58.32 -38.48 77.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.855 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -80.77 -52.38 7.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.923 -179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -51.23 -44.47 61.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.831 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' O ' HG23 ' A' ' 17' ' ' VAL . 47.6 mmtt -40.83 -32.13 0.21 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.882 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 15' ' ' LEU . 77.0 mt-30 -72.7 -51.9 17.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.58 HD22 ' OE1' ' A' ' 45' ' ' GLN . 48.2 mt -35.81 -68.38 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.909 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 10.1 pttp -42.93 -43.73 4.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.936 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 13' ' ' LYS . 97.8 t -64.33 -46.65 92.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.14 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.675 HD11 ' HB2' ' A' ' 125' ' ' ALA . 85.2 mt -52.41 -59.32 4.56 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.4 mt -50.35 -46.48 55.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.933 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 10.8 m -37.34 -50.68 1.05 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.06 138.73 5.0 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.474 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -129.61 165.55 21.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.855 0.36 . . . . 0.0 111.109 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.566 ' O ' ' CD1' ' A' ' 24' ' ' PHE . 17.1 m -84.26 147.67 27.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.131 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.566 ' CD1' ' O ' ' A' ' 23' ' ' THR . 65.3 m-85 -160.05 171.84 18.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 84.3 mt -110.11 114.6 28.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.943 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.579 HG13 HD11 ' A' ' 100' ' ' LEU . 99.3 t -99.09 117.95 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.148 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 2.6 m -101.27 101.48 12.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.154 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -83.43 143.98 29.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -45.75 -36.42 6.46 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.503 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 13.9 t30 -73.92 -53.28 10.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.812 0.339 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -73.47 117.92 15.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -81.0 -6.98 59.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 10.2 ttpt -122.86 138.23 29.27 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.699 . . . . 0.0 110.907 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 142.01 46.73 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -123.5 141.81 51.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.4 m -66.57 106.13 1.7 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.131 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 51.3 mtp -122.75 159.13 28.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 25.4 m -107.2 121.07 43.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.1 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 35.4 m -109.59 125.01 52.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -144.36 167.62 22.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.614 HD12 ' HB3' ' A' ' 18' ' ' LEU . 8.0 mt -103.03 144.57 31.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.926 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.0 t -56.93 174.62 0.16 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -45.79 -53.47 9.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -96.09 7.11 47.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.93 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.58 ' OE1' HD22 ' A' ' 15' ' ' LEU . 3.3 mt-30 62.98 43.63 6.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.647 ' C ' ' CD1' ' A' ' 47' ' ' TYR . 90.3 mtt180 -99.56 -10.35 22.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 46' ' ' ARG . 16.9 m-85 -154.81 159.01 40.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.941 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 82.4 mt -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.889 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 -116.6 140.41 49.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.725 HD12 ' HB3' ' A' ' 56' ' ' TYR . 15.1 mt -124.38 141.11 52.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.92 131.81 54.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.835 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 53' ' ' ASP . . . 158.08 -131.11 2.74 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.502 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' C ' ' O ' ' A' ' 52' ' ' GLY . 69.6 m-20 -34.6 -47.79 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.839 0.352 . . . . 0.0 110.878 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.7 m -158.05 175.76 13.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -73.0 88.01 1.37 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.725 ' HB3' HD12 ' A' ' 50' ' ' LEU . 8.8 m-85 -102.47 147.98 26.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 18.4 pm0 -152.74 150.14 29.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.627 ' CD1' HD22 ' A' ' 100' ' ' LEU . 68.3 mt -127.93 100.25 5.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.432 ' HB2' HG22 ' A' ' 61' ' ' VAL . 7.6 pt-20 -65.19 122.84 18.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.934 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . . . . . . . . . 61.0 mt -59.43 -36.15 62.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.157 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.552 HG23 ' HD2' ' A' ' 62' ' ' HIS . 20.4 m -48.01 -29.5 2.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.552 ' HD2' HG23 ' A' ' 61' ' ' VAL . 7.3 m-70 -89.14 -49.75 6.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.417 ' C ' ' O ' ' A' ' 62' ' ' HIS . 52.5 mt -36.38 126.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 36.4 t -105.37 -53.52 2.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.893 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 70.5 m -105.35 137.42 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.152 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.571 HG13 ' CD2' ' A' ' 87' ' ' LEU . 57.3 t -138.22 105.21 3.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -135.95 158.33 44.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.7 mt -105.49 137.17 36.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.136 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 86' ' ' PHE . 77.7 mt -82.94 129.14 34.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.0 p -120.71 169.65 10.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -66.72 -44.54 81.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -149.69 -169.42 16.01 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.488 ' N ' ' HD2' ' A' ' 74' ' ' PRO . 4.3 m-85 -51.7 -60.75 5.31 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.609 0.718 . . . . 0.0 110.875 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.488 ' HD2' ' N ' ' A' ' 73' ' ' PHE . 53.8 Cg_endo -69.76 159.53 53.05 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.732 2.288 . . . . 0.0 112.319 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -33.27 16.79 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 146.81 175.67 19.95 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.513 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -98.12 43.7 1.89 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.454 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.39 -85.19 0.14 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.458 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.5 p30 -100.82 146.66 27.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.804 0.335 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.71 125.13 27.38 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.105 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 72.9 mtm180 -119.33 82.08 1.81 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.815 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.84 93.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.088 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 71.0 p -51.23 -46.46 62.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.129 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.19 -179.06 35.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.517 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.581 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.5 ttm -119.98 155.82 32.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.755 0.312 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' HB2' HD21 ' A' ' 69' ' ' LEU . 46.6 t80 -133.65 119.13 18.99 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.876 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' VAL . 8.7 mt -129.87 151.61 50.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.906 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -130.86 140.7 50.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.939 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -157.4 155.55 30.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.499 HG22 HG22 ' A' ' 97' ' ' VAL . 47.5 p -102.39 154.36 19.15 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.115 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.1 t -115.07 129.96 24.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.661 0.743 . . . . 0.0 111.121 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 81.87 0.8 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.338 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 136.16 32.67 0.26 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.3 t -150.5 177.91 9.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.779 0.323 . . . . 0.0 111.151 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -118.82 118.8 32.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 106.2 -176.71 22.0 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.48 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.499 HG22 HG22 ' A' ' 90' ' ' THR . 81.5 t -113.88 137.22 47.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.955 0.407 . . . . 0.0 111.126 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 87.7 m -101.93 136.92 40.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.136 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.429 ' C ' ' CD ' ' A' ' 99' ' ' GLN . 0.0 OUTLIER -112.37 168.72 9.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.627 HD22 ' CD1' ' A' ' 58' ' ' ILE . 13.5 tp -134.62 134.21 40.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HG3' HD11 ' A' ' 69' ' ' LEU . 28.7 tttt -118.27 135.1 54.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.916 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.581 HD12 ' HB3' ' A' ' 85' ' ' MET . 42.0 mt -123.87 153.66 40.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.928 179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 42.5 m -142.28 146.17 34.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.742 HG12 ' H ' ' A' ' 106' ' ' GLU . 47.7 t -87.08 119.03 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.534 ' O ' HG12 ' A' ' 105' ' ' VAL . 10.4 t -90.56 13.7 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.742 ' H ' HG12 ' A' ' 104' ' ' VAL . 6.8 mm-40 -120.4 134.9 55.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -109.46 -29.28 8.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.875 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 2.4 m -64.43 -176.83 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.138 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 16.5 m -74.78 -51.78 13.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.174 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.5 t -42.65 -71.96 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.1 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . 0.443 ' O ' ' C ' ' A' ' 112' ' ' ARG . . . -54.77 -67.33 2.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.44 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 111' ' ' GLY . 17.2 tpp180 -34.71 -57.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.908 -179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 29.9 mmm-85 -54.19 -46.49 72.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 44.3 tp60 -62.68 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.438 ' HB1' ' HE1' ' A' ' 24' ' ' PHE . . . -46.13 -62.6 1.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.121 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 94.5 t -49.64 -44.63 19.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' ALA . . . -53.08 -42.04 65.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.15 179.854 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.51 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 32.0 t90 -78.75 -33.41 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.968 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 90.0 mt -64.25 -46.83 82.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.404 HG13 ' N ' ' A' ' 121' ' ' ALA . 7.5 p -79.28 -38.75 20.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' ALA . . . -59.52 -53.65 55.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.48 ' N ' HD21 ' A' ' 18' ' ' LEU . 1.2 tmt? -45.64 -68.57 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 122' ' ' MET . 36.7 t-80 -37.25 -41.94 0.43 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.88 -53.54 20.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . 0.675 ' HB2' HD11 ' A' ' 18' ' ' LEU . . . -52.98 -29.28 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.143 179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.485 ' HA ' HD12 ' A' ' 129' ' ' LEU . . . -66.31 -50.5 63.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.12 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 130' ' ' TYR . 16.1 mttp -33.14 -56.11 0.4 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 14.8 mt -41.56 -45.96 3.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.908 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.485 HD12 ' HA ' ' A' ' 126' ' ' ALA . 13.1 mt -39.62 -57.83 1.42 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 127' ' ' LYS . 0.2 OUTLIER -94.91 -54.79 3.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.488 ' O ' ' C ' ' A' ' 132' ' ' SER . 17.6 mm-40 -41.18 -24.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.488 ' C ' ' O ' ' A' ' 131' ' ' GLU . 4.3 t -31.52 98.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 -179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.455 ' C ' ' O ' ' A' ' 132' ' ' SER . 52.1 mmm-85 33.69 55.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -119.91 -46.29 2.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.847 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.8 tm0? -61.61 145.66 51.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 95.1 p -125.41 100.65 6.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.825 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -68.09 -153.61 0.47 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.491 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 -29.02 24.48 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.703 2.269 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 33.1 t -46.71 136.85 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.5 p -57.36 150.9 17.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.846 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.451 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -62.69 97.3 0.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 110.892 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -61.52 -45.47 94.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.49 101.36 2.67 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.488 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.5 p -172.75 162.95 5.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.923 0.392 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.3 m -134.1 92.39 2.94 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.858 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 56.12 84.86 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.475 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -92.55 34.23 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.738 0.304 . . . . 0.0 111.053 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 10' ' ' PHE . 22.6 mt-10 -41.75 -28.47 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.891 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.574 ' CG ' ' N ' ' A' ' 11' ' ' TYR . 1.1 p90 -37.39 -49.17 0.98 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.704 ' CZ ' HD21 ' A' ' 15' ' ' LEU . 24.8 t80 -83.37 -56.48 3.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.898 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.42 ' C ' ' O ' ' A' ' 11' ' ' TYR . 12.7 m-20 -36.96 -51.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.88 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.862 ' O ' HG23 ' A' ' 17' ' ' VAL . 6.0 ttpm? -37.08 -44.83 0.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.472 ' O ' ' N ' ' A' ' 17' ' ' VAL . 20.8 mp0 -66.07 -51.09 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD21 ' CZ ' ' A' ' 11' ' ' TYR . 76.5 mt -36.78 -57.9 0.78 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' VAL . 6.1 pttm -62.51 -32.9 73.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 179.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 13' ' ' LYS . 58.5 t -68.89 -33.57 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.121 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.518 ' HB3' HD12 ' A' ' 41' ' ' LEU . 24.2 mt -70.33 -65.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 77.6 mt -41.06 -51.14 3.38 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 28.5 t -44.12 -40.91 5.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . 77.39 143.28 1.76 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -128.07 167.41 16.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 0.0 111.07 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.41 HG21 HG21 ' A' ' 108' ' ' VAL . 22.6 m -87.04 143.12 27.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 84.0 m-85 -150.87 158.78 44.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.876 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 39.0 mt -100.18 107.18 18.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.563 HG11 HD11 ' A' ' 100' ' ' LEU . 25.9 t -93.03 127.65 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.119 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 1.3 m -116.24 131.51 56.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.175 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -103.72 148.95 25.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.825 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -56.25 -21.57 33.38 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -85.25 -34.13 22.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 86.6 p -100.38 131.39 46.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -85.51 -17.95 34.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.819 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -105.57 137.51 19.32 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.627 0.727 . . . . 0.0 110.863 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 161.67 45.02 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.692 2.262 . . . . 0.0 112.348 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -132.94 138.53 46.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 4.1 m -76.41 117.59 18.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.139 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 11.7 mtp -135.02 175.76 9.28 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.2 m -120.66 124.19 44.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.185 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 55.8 m -113.99 120.53 40.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.923 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -140.26 167.21 22.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD12 ' HB3' ' A' ' 18' ' ' LEU . 10.0 mt -103.83 158.88 16.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.963 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.527 ' HB3' ' CZ ' ' A' ' 49' ' ' PHE . 99.0 p -81.52 175.76 10.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -45.13 -54.29 7.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.83 -4.18 59.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 61.04 31.73 19.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.429 ' O ' ' CG ' ' A' ' 47' ' ' TYR . 14.8 mtt-85 -96.24 3.03 53.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.429 ' CG ' ' O ' ' A' ' 46' ' ' ARG . 47.4 m-85 -157.69 148.72 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.894 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.3 mt -104.39 146.29 29.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.904 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.527 ' CZ ' ' HB3' ' A' ' 42' ' ' SER . 10.3 m-85 -122.04 148.81 44.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.447 HD12 ' HB3' ' A' ' 56' ' ' TYR . 66.8 mt -126.83 153.39 45.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.871 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -139.97 129.49 24.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 174.28 -120.79 0.81 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -56.68 -43.35 80.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.803 0.335 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.7 m -149.45 173.71 13.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -70.71 105.49 3.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' TYR . . . . . 0.447 ' HB3' HD12 ' A' ' 50' ' ' LEU . 22.2 m-85 -120.11 149.05 42.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.829 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -156.8 140.66 16.16 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.867 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.414 ' CD1' HD22 ' A' ' 100' ' ' LEU . 33.9 mt -121.45 100.17 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.125 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.768 ' HB2' HG22 ' A' ' 61' ' ' VAL . 1.7 pm0 -64.76 135.56 55.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.877 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.418 ' O ' HG22 ' A' ' 60' ' ' ILE . 82.2 mt -70.05 -16.33 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.768 HG22 ' HB2' ' A' ' 59' ' ' GLU . 28.5 m -69.49 -21.2 24.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.128 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.446 ' HD2' HG23 ' A' ' 61' ' ' VAL . 5.2 m-70 -97.2 -40.15 8.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 51.3 mt -47.8 132.66 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.9 t -111.05 -51.58 2.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' THR . . . . . . . . . . . . . 32.2 m -104.72 133.61 49.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.146 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 81.5 t -134.59 101.93 3.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.168 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -132.19 158.51 41.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.403 HG23 ' O ' ' A' ' 84' ' ' GLY . 80.1 mt -103.69 146.0 11.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.593 HD11 ' HG3' ' A' ' 101' ' ' LYS . 85.0 mt -88.38 120.12 29.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.931 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 57.1 p -131.06 107.31 8.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.124 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -88.23 141.22 28.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -94.47 73.22 1.07 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.473 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . . . . . . . . . 6.2 p90 -121.76 147.72 49.03 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.689 0.757 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.432 ' HA ' ' HD2' ' A' ' 75' ' ' PRO . 53.9 Cg_endo -69.79 110.37 2.54 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.65 2.233 . . . . 0.0 112.347 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.432 ' HD2' ' HA ' ' A' ' 74' ' ' PRO . 53.8 Cg_endo -69.76 171.18 14.94 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.656 2.238 . . . . 0.0 112.349 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -132.78 -57.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.479 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLY . . . . . . . . . . . . . . . -121.02 -58.03 0.23 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.469 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -70.06 110.18 3.2 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.7 t30 -85.91 113.11 21.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 0.0 110.913 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -160.45 140.39 11.24 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.104 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 41.8 mtp85 -89.97 -60.52 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -72.08 115.64 11.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.155 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 57.8 p -102.26 34.31 2.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.128 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.403 ' O ' HG23 ' A' ' 68' ' ' ILE . . . 142.21 -161.34 27.25 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.482 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 21.8 tpp -155.71 146.07 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 99' ' ' GLN . 12.0 t80 -126.28 125.01 41.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.892 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.2 mt -128.57 154.85 45.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.898 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 35.2 mt-30 -132.69 136.5 46.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -152.23 147.73 26.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.56 HG22 HG22 ' A' ' 97' ' ' VAL . 81.4 p -103.26 144.28 31.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.123 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 53.2 t -101.41 130.07 25.57 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.63 0.729 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 80.63 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.713 2.275 . . . . 0.0 112.316 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 131.96 36.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 1.7 t -143.38 173.62 11.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.776 0.322 . . . . 0.0 111.108 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -115.39 106.7 14.3 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 110.06 -175.49 18.5 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.506 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.56 HG22 HG22 ' A' ' 90' ' ' THR . 69.8 t -115.92 143.44 25.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.868 0.366 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . . . . . . . . . 85.2 m -104.28 136.3 44.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 86' ' ' PHE . 13.6 pt20 -115.39 137.95 51.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.563 HD11 HG11 ' A' ' 26' ' ' VAL . 3.2 tp -115.68 122.09 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.593 ' HG3' HD11 ' A' ' 69' ' ' LEU . 1.9 ttmp? -100.12 135.36 41.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 26' ' ' VAL . 76.2 mt -123.82 131.77 53.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.1 m -128.18 148.03 50.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.206 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.422 HG13 ' CB ' ' A' ' 115' ' ' ALA . 61.7 t -78.3 144.51 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.144 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 27.1 m -116.94 161.91 15.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.109 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -121.36 -36.01 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -53.08 -55.23 25.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.41 HG21 HG21 ' A' ' 23' ' ' THR . 55.0 t -56.02 149.96 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.139 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.406 ' C ' ' O ' ' A' ' 108' ' ' VAL . 21.7 m -37.06 -58.29 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.9 m -49.59 139.62 4.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLY . . . . . . . . . . . . . . . -101.4 -153.36 25.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.546 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.477 ' O ' HG23 ' A' ' 116' ' ' VAL . 8.1 tpp180 -83.38 -43.16 16.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.823 0.344 . . . . 0.0 110.868 -179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ARG . . . . . . . . . . . . . 1.6 mpp_? -52.67 -39.36 61.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.822 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 31.6 tp60 -66.91 -60.94 2.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.931 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . 0.422 ' CB ' HG13 ' A' ' 104' ' ' VAL . . . -54.38 -57.79 9.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.098 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.879 ' HA ' HD12 ' A' ' 119' ' ' LEU . 99.4 t -47.98 -43.11 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.112 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.27 -45.36 94.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.43 ' CD1' ' HA ' ' A' ' 18' ' ' LEU . 64.4 t90 -65.76 -46.87 77.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.879 HD12 ' HA ' ' A' ' 116' ' ' VAL . 17.9 mt -48.16 -62.81 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.413 HG13 ' N ' ' A' ' 121' ' ' ALA . 6.8 p -61.54 -39.78 84.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.413 ' N ' HG13 ' A' ' 120' ' ' VAL . . . -56.16 -41.01 74.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.122 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 10.0 tpt -61.56 -55.99 24.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.868 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' HIS . . . . . 0.4 ' O ' ' HB3' ' A' ' 126' ' ' ALA . 15.2 t-80 -58.55 -54.99 40.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 29.4 mmtt -43.25 -58.5 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ALA . . . . . . . . . . . . . . . -62.49 -42.05 99.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.108 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 123' ' ' HIS . . . -43.7 -35.68 1.91 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.117 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.6 mtmt -64.46 -49.78 70.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -52.52 -47.48 66.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 129' ' ' LEU . 13.0 mt -46.66 -59.58 2.93 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 130' ' ' TYR . 0.3 OUTLIER -72.31 -62.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.933 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -54.64 157.24 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 98.2 p -109.51 164.24 12.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.847 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -104.49 126.31 51.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.866 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -76.3 -43.67 40.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.849 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -48.88 -68.88 0.14 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.925 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 51.5 p -55.03 -22.42 15.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.871 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 102.94 -155.5 18.2 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.517 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 177.48 5.55 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.688 2.258 . . . . 0.0 112.363 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 49.6 m -117.26 -48.65 2.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 68.5 m -84.56 167.36 16.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.868 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.457 -179.985 . . . . . . . . 0 0 . 1 stop_ save_